 | | H9R | | Name: | 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one | | Formula: | C21 H20 O11 | | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc3OC(=CC(=O)c3c2O)c4ccc(O)c(O)c4 | | InChi: | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 | | Definition date: | 2020-12-11 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one |
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 | | V9T | | Name: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide | | Formula: | C28 H38 N6 O3 | | SMILES: | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CC5(CCC5)[CH]4C6CC6)cc3O)C2 | | InChi: | InChI=1S/C28H38N6O3/c1-29-23-13-24(32-18-31-23)33-11-3-10-28(37,17-33)15-30-26(36)21-7-4-19(12-22(21)35)14-34-16-27(8-2-9-27)25(34)20-5-6-20/h4,7,12-13,18,20,25,35,37H,2-3,5-6,8-11,14-17H2,1H3,(H,30,36)(H,29,31,32)/t25-,28+/m0/s1 | | Definition date: | 2021-05-03 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
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 | | V9W | | Name: | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol | | Formula: | C32 H41 N7 O | | SMILES: | CC1(C)CCN(CC1)Cc2ccc3[nH]c(C[C]4(O)CCCN(C4)c5cc(NCc6ccccc6)ncn5)nc3c2 | | InChi: | InChI=1S/C32H41N7O/c1-31(2)12-15-38(16-13-31)21-25-9-10-26-27(17-25)37-29(36-26)19-32(40)11-6-14-39(22-32)30-18-28(34-23-35-30)33-20-24-7-4-3-5-8-24/h3-5,7-10,17-18,23,40H,6,11-16,19-22H2,1-2H3,(H,36,37)(H,33,34,35)/t32-/m1/s1 | | Definition date: | 2021-05-03 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol |
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 | | HAF | | Name: | tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate | | Formula: | C24 H33 N5 O3 | | SMILES: | CN1C[CH](C[CH](C1)c2ccccc2)NC3=NC4=C(CN(C4)C(=O)OC(C)(C)C)C(=O)N3C | | InChi: | InChI=1S/C24H33N5O3/c1-24(2,3)32-23(31)29-14-19-20(15-29)26-22(28(5)21(19)30)25-18-11-17(12-27(4)13-18)16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3,(H,25,26)/t17-,18+/m0/s1 | | Definition date: | 2020-12-14 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | ~{tert}-butyl 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate |
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 | | VA8 | | Name: | ~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide | | Formula: | C33 H42 N8 O2 | | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5cccc6nc[nH]c56)ncn4 | | InChi: | InChI=1S/C33H42N8O2/c1-32(2)12-15-40(16-13-32)19-24-7-9-25(10-8-24)31(42)35-20-33(43)11-4-14-41(21-33)29-17-28(37-23-38-29)34-18-26-5-3-6-27-30(26)39-22-36-27/h3,5-10,17,22-23,43H,4,11-16,18-21H2,1-2H3,(H,35,42)(H,36,39)(H,34,37,38)/t33-/m1/s1 | | Definition date: | 2021-05-04 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | ~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide |
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 | | Y1W | | Name: | (1S)-2-[(2r,5S)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol | | Formula: | C25 H27 F N2 O6 | | SMILES: | OC(CC1OCC(CO1)NCc1ccc2OCCOc2c1)c1c2cc(OC)ccc2ncc1F | | InChi: | InChI=1S/C25H27FN2O6/c1-30-17-3-4-20-18(9-17)25(19(26)12-28-20)21(29)10-24-33-13-16(14-34-24)27-11-15-2-5-22-23(8-15)32-7-6-31-22/h2-5,8-9,12,16,21,24,27,29H,6-7,10-11,13-14H2,1H3/t16-,21-,24-/m0/s1 | | Definition date: | 2021-05-26 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | (1S)-2-[(2r,5S)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol |
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 | | VAQ | | Name: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | | Formula: | C34 H42 N6 O3 | | SMILES: | Oc1cc(CN2CC3(CCC3)[CH]2C4CC4)ccc1C(=O)NC[C]5(O)CCCN(C5)c6cc(NCc7ccccc7)ncn6 | | InChi: | InChI=1S/C34H42N6O3/c41-28-16-25(19-40-21-33(12-4-13-33)31(40)26-9-10-26)8-11-27(28)32(42)36-20-34(43)14-5-15-39(22-34)30-17-29(37-23-38-30)35-18-24-6-2-1-3-7-24/h1-3,6-8,11,16-17,23,26,31,41,43H,4-5,9-10,12-15,18-22H2,(H,36,42)(H,35,37,38)/t31-,34+/m0/s1 | | Definition date: | 2021-05-04 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
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 | | VAT | | Name: | 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | | Formula: | C32 H40 N6 O2 | | SMILES: | O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCCC6)C5)cc4 | | InChi: | InChI=1S/C32H40N6O2/c39-30(27-11-9-26(10-12-27)19-37-21-31(22-37)13-4-5-14-31)34-20-32(40)15-6-16-38(23-32)29-17-28(35-24-36-29)33-18-25-7-2-1-3-8-25/h1-3,7-12,17,24,40H,4-6,13-16,18-23H2,(H,34,39)(H,33,35,36)/t32-/m1/s1 | | Definition date: | 2021-05-04 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
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 | | VB2 | | Name: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide | | Formula: | C26 H38 N6 O3 | | SMILES: | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3O)C2 | | InChi: | InChI=1S/C26H38N6O3/c1-25(2)8-11-31(12-9-25)15-19-5-6-20(21(33)13-19)24(34)28-16-26(35)7-4-10-32(17-26)23-14-22(27-3)29-18-30-23/h5-6,13-14,18,33,35H,4,7-12,15-17H2,1-3H3,(H,28,34)(H,27,29,30)/t26-/m0/s1 | | Definition date: | 2021-05-04 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
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 | | VB5 | | Name: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide | | Formula: | C26 H38 N6 O3 | | SMILES: | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc3O)C2 | | InChi: | InChI=1S/C26H38N6O3/c1-25(2)8-11-31(12-9-25)15-19-5-6-20(21(33)13-19)24(34)28-16-26(35)7-4-10-32(17-26)23-14-22(27-3)29-18-30-23/h5-6,13-14,18,33,35H,4,7-12,15-17H2,1-3H3,(H,28,34)(H,27,29,30)/t26-/m1/s1 | | Definition date: | 2021-05-04 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
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 | | VB8 | | Name: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | | Formula: | C33 H44 N6 O2 S | | SMILES: | CSc1cc(CN2CCC(C)(C)CC2)ccc1C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4 | | InChi: | InChI=1S/C33H44N6O2S/c1-32(2)13-16-38(17-14-32)21-26-10-11-27(28(18-26)42-3)31(40)35-22-33(41)12-7-15-39(23-33)30-19-29(36-24-37-30)34-20-25-8-5-4-6-9-25/h4-6,8-11,18-19,24,41H,7,12-17,20-23H2,1-3H3,(H,35,40)(H,34,36,37)/t33-/m1/s1 | | Definition date: | 2021-05-04 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
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 | | V0K | | Name: | 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide | | Formula: | C34 H26 F2 N6 O4 | | SMILES: | CC1=CC=C(C(=O)N[CH](C(=O)Nc2ccc3NC(=O)C(=Cc4[nH]cnc4)c3c2)c5ccccc5)C(=O)N1Cc6ccc(F)c(F)c6 | | InChi: | InChI=1S/C34H26F2N6O4/c1-19-7-10-24(34(46)42(19)17-20-8-11-27(35)28(36)13-20)31(43)41-30(21-5-3-2-4-6-21)33(45)39-22-9-12-29-25(14-22)26(32(44)40-29)15-23-16-37-18-38-23/h2-16,18,30H,17H2,1H3,(H,37,38)(H,39,45)(H,40,44)(H,41,43)/b26-15+/t30-/m1/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide |
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 | | T1B | | Name: | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole | | Formula: | C12 H13 N5 | | SMILES: | CCc1ccc2[nH]c(nc2c1)c3cnnn3C | | InChi: | InChI=1S/C12H13N5/c1-3-8-4-5-9-10(6-8)15-12(14-9)11-7-13-16-17(11)2/h4-7H,3H2,1-2H3,(H,14,15) | | Definition date: | 2020-12-10 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole |
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 | | T1E | | Name: | 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine | | Formula: | C16 H26 N4 O2 | | SMILES: | CNC(NC1CCN(CC1)c2cc(OC)cc(OC)c2)=NC | | InChi: | InChI=1S/C16H26N4O2/c1-17-16(18-2)19-12-5-7-20(8-6-12)13-9-14(21-3)11-15(10-13)22-4/h9-12H,5-8H2,1-4H3,(H2,17,18,19) | | Definition date: | 2020-12-10 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine |
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 | | T1H | | Name: | 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide | | Formula: | C21 H30 N10 O | | SMILES: | CNC(NC1CCN(CC1)CC(=O)NCc2ccc3[nH]c(nc3c2)c4cnnn4C)=NC | | InChi: | InChI=1S/C21H30N10O/c1-22-21(23-2)26-15-6-8-31(9-7-15)13-19(32)24-11-14-4-5-16-17(10-14)28-20(27-16)18-12-25-29-30(18)3/h4-5,10,12,15H,6-9,11,13H2,1-3H3,(H,24,32)(H,27,28)(H2,22,23,26) | | Definition date: | 2020-12-10 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide |
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 | | T3H | | Name: | (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide | | Formula: | C25 H30 N10 O | | SMILES: | CNC(Nc1ccc(cc1)N2CCC[CH]2C(=O)NCc3ccc4[nH]c(nc4c3)c5cnnn5C)=NC | | InChi: | InChI=1S/C25H30N10O/c1-26-25(27-2)30-17-7-9-18(10-8-17)35-12-4-5-21(35)24(36)28-14-16-6-11-19-20(13-16)32-23(31-19)22-15-29-33-34(22)3/h6-11,13,15,21H,4-5,12,14H2,1-3H3,(H,28,36)(H,31,32)(H2,26,27,30)/t21-/m0/s1 | | Definition date: | 2020-12-14 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide |
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 | | T8W | | Name: | 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate | | Formula: | C112 H88 O32 S8 | | SMILES: | Oc1c2Cc3cc(Cc4ccc(cc4)[S]([O-])(=O)=O)cc(Cc5cc(Cc6ccc(cc6)[S]([O-])(=O)=O)cc(Cc7cc(Cc8ccc(cc8)[S]([O-])(=O)=O)cc(Cc9cc(Cc%10ccc(cc%10)[S]([O-])(=O)=O)cc(Cc%11cc(Cc%12ccc(cc%12)[S]([O-])(=O)=O)cc(Cc%13cc(Cc%14ccc(cc%14)[S]([O-])(=O)=O)cc(Cc%15cc(Cc%16ccc(cc%16)[S]([O-])(=O)=O)cc(Cc1cc(Cc%17ccc(cc%17)[S]([O-])(=O)=O)c2)c%15O)c%13O)c%11O)c9O)c7O)c5O)c3O | | InChi: | InChI=1S/C112H96O32S8/c113-105-81-41-73(33-65-1-17-97(18-2-65)145(121,122)123)42-82(105)58-84-44-75(35-67-5-21-99(22-6-67)147(127,128)129)46-86(107(84)115)60-88-48-77(37-69-9-25-101(26-10-69)149(133,134)135)50-90(109(88)117)62-92-52-79(39-71-13-29-103(30-14-71)151(139,140)141)54-94(111(92)119)64-96-56-80(40-72-15-31-104(32-16-72)152(142,143)144)55-95(112(96)120)63-93-53-78(38-70-11-27-102(28-12-70)150(136,137)138)51-91(110(93)118)61-89-49-76(36-68-7-23-100(24-8-68)148(130,131)132)47-87(108(89)116)59-85-45-74(43-83(57-81)106(85)114)34-66-3-19-98(20-4-66)146(124,125)126/h1-32,41-56,113-120H,33-40,57-64H2,(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)/p-8 | | Synonyms: | p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane | | Definition date: | 2020-12-18 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 |
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 | | T8Z | | Name: | 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole | | Formula: | C20 H21 N7 | | SMILES: | Cn1nncc1c2[nH]c3cc(CN4CCC[CH]4c5ccncc5)ccc3n2 | | InChi: | InChI=1S/C20H21N7/c1-26-19(12-22-25-26)20-23-16-5-4-14(11-17(16)24-20)13-27-10-2-3-18(27)15-6-8-21-9-7-15/h4-9,11-12,18H,2-3,10,13H2,1H3,(H,23,24)/t18-/m0/s1 | | Synonyms: | 2-(3-methyl-1,2,3-triazol-4-yl)-6-[[(2~{S})-2-pyridin-4-ylpyrrolidin-1-yl]methyl]-1~{H}-benzimidazole | | Definition date: | 2020-12-18 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 2-(3-methyl-1,2,3-triazol-4-yl)-6-[[(2~{S})-2-pyridin-4-ylpyrrolidin-1-yl]methyl]-1~{H}-benzimidazole |
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 | | JC3 | | Name: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one | | Formula: | C20 H26 N4 O | | SMILES: | CN1C[CH](C[CH](C1)c2ccccc2)NC3=NC4=C(CCC4)C(=O)N3C | | InChi: | InChI=1S/C20H26N4O/c1-23-12-15(14-7-4-3-5-8-14)11-16(13-23)21-20-22-18-10-6-9-17(18)19(25)24(20)2/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,21,22)/t15-,16+/m0/s1 | | Definition date: | 2021-05-14 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-one |
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 | | UDK | | Name: | (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide | | Formula: | C25 H36 N6 O2 | | SMILES: | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2 | | InChi: | InChI=1S/C25H36N6O2/c1-19-8-12-30(13-9-19)15-20-4-6-21(7-5-20)24(32)27-16-25(33)10-3-11-31(17-25)23-14-22(26-2)28-18-29-23/h4-7,14,18-19,33H,3,8-13,15-17H2,1-2H3,(H,27,32)(H,26,28,29)/t25-/m1/s1 | | Synonyms: | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide | | Definition date: | 2021-02-10 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide |
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 | | UDQ | | Name: | N-[[(3R)-3-Hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide | | Formula: | C24 H34 N6 O2 | | SMILES: | CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2 | | InChi: | InChI=1S/C24H34N6O2/c1-25-21-14-22(28-18-27-21)30-13-5-10-24(32,17-30)16-26-23(31)20-8-6-19(7-9-20)15-29-11-3-2-4-12-29/h6-9,14,18,32H,2-5,10-13,15-17H2,1H3,(H,26,31)(H,25,27,28)/t24-/m1/s1 | | Synonyms: | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide | | Definition date: | 2021-02-10 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide |
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 | | UDW | | Name: | (S)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide | | Formula: | C17 H23 N5 O3 S | | SMILES: | N[S](=O)(=O)c1cccc(CNc2cc(ncn2)N3CCC[CH](CO)C3)c1 | | InChi: | InChI=1S/C17H23N5O3S/c18-26(24,25)15-5-1-3-13(7-15)9-19-16-8-17(21-12-20-16)22-6-2-4-14(10-22)11-23/h1,3,5,7-8,12,14,23H,2,4,6,9-11H2,(H2,18,24,25)(H,19,20,21)/t14-/m1/s1 | | Synonyms: | 3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide | | Definition date: | 2021-02-11 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 3-[[[6-[(3~{R})-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide |
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 | | 1AS | | Name: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid | | Formula: | C35 H33 F O8 | | SMILES: | COc1c(CC=C(C)C)c2C(=O)c3c(Oc2cc1OCc4ccc(F)cc4)cc5OC(C)(C)C=Cc5c3OCC=CC(O)=O | | InChi: | InChI=1S/C35H33FO8/c1-20(2)8-13-24-30-26(18-28(33(24)40-5)42-19-21-9-11-22(36)12-10-21)43-27-17-25-23(14-15-35(3,4)44-25)34(31(27)32(30)39)41-16-6-7-29(37)38/h6-12,14-15,17-18H,13,16,19H2,1-5H3,(H,37,38)/b7-6+ | | Definition date: | 2021-06-17 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid |
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 | | 1GF | | Name: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid | | Formula: | C35 H33 F O8 | | SMILES: | COc1c(CC=C(C)C)c2C(=O)c3c(Oc2cc1OCc4ccc(F)cc4)cc5OC(C)(C)C=Cc5c3OCC=CC(O)=O | | InChi: | InChI=1S/C35H33FO8/c1-20(2)8-13-24-30-26(18-28(33(24)40-5)42-19-21-9-11-22(36)12-10-21)43-27-17-25-23(14-15-35(3,4)44-25)34(31(27)32(30)39)41-16-6-7-29(37)38/h6-12,14-15,17-18H,13,16,19H2,1-5H3,(H,37,38)/b7-6- | | Definition date: | 2021-06-21 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid |
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 | | 9EI | | Name: | 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide | | Formula: | C16 H13 N3 O | | SMILES: | O=C(Nc1cccc2ccccc21)c1cncc(N)c1 | | InChi: | InChI=1S/C16H13N3O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,17H2,(H,19,20) | | Definition date: | 2021-10-08 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide |
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