 | | JA9 | | Name: | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole | | Formula: | C14 H9 Cl3 N2 O S | | SMILES: | CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1 | | InChi: | InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19) | | Synonyms: | Triclabendazole | | Definition date: | 2021-05-07 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1~{H}-benzimidazole |
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 | | JAL | | Name: | 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol | | Formula: | C13 H10 Cl2 O2 | | SMILES: | Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O | | InChi: | InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2 | | Synonyms: | Dichlorophen | | Definition date: | 2021-05-07 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol |
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 | | H60 | | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide | | Formula: | C23 H31 N3 O4 | | SMILES: | CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | | InChi: | InChI=1S/C23H31N3O4/c1-2-3-11-20(26-21(28)13-12-17-8-5-4-6-9-17)23(30)25-19(16-27)15-18-10-7-14-24-22(18)29/h4-6,8-9,12-13,16,18-20H,2-3,7,10-11,14-15H2,1H3,(H,24,29)(H,25,30)(H,26,28)/b13-12+/t18-,19-,20-/m0/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
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 | | H63 | | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide | | Formula: | C22 H29 N3 O4 | | SMILES: | CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O | | InChi: | InChI=1S/C22H29N3O4/c1-2-3-9-19(25-20(27)11-10-16-7-5-4-6-8-16)22(29)24-18(15-26)14-17-12-13-23-21(17)28/h4-8,10-11,15,17-19H,2-3,9,12-14H2,1H3,(H,23,28)(H,24,29)(H,25,27)/b11-10+/t17-,18-,19-/m0/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
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 | | H6F | | Name: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide | | Formula: | C30 H40 N4 O5 | | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCCNC3=O)C=O | | InChi: | InChI=1S/C30H40N4O5/c1-18(2)14-25(29(38)32-24(17-35)16-22-10-7-13-31-27(22)36)33-30(39)26(19(3)4)34-28(37)23-12-11-20-8-5-6-9-21(20)15-23/h5-6,8-9,11-12,15,17-19,22,24-26H,7,10,13-14,16H2,1-4H3,(H,31,36)(H,32,38)(H,33,39)(H,34,37)/t22-,24-,25-,26-/m0/s1 | | Definition date: | 2020-11-18 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide |
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 | | H6L | | Name: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide | | Formula: | C26 H37 N5 O7 | | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | | InChi: | InChI=1S/C26H37N5O7/c1-15(2)12-21(25(35)28-19(14-32)13-18-6-5-11-27-23(18)33)29-26(36)22(16(3)4)30-24(34)17-7-9-20(10-8-17)31(37)38/h7-10,14-16,18-19,21-22H,5-6,11-13H2,1-4H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t18-,19-,21-,22-/m0/s1 | | Definition date: | 2020-11-19 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide |
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 | | H6R | | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide | | Formula: | C21 H23 N3 O4 | | SMILES: | O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC#C)NC(=O)C=Cc2ccccc2 | | InChi: | InChI=1S/C21H23N3O4/c1-2-6-18(24-19(26)10-9-15-7-4-3-5-8-15)21(28)23-17(14-25)13-16-11-12-22-20(16)27/h1,3-5,7-10,14,16-18H,6,11-13H2,(H,22,27)(H,23,28)(H,24,26)/b10-9+/t16-,17-,18-/m0/s1 | | Definition date: | 2020-11-19 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide |
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 | | H80 | | Name: | [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | Formula: | C21 H24 N2 O3 S | | SMILES: | COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4)c2c1 | | InChi: | InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m0/s1 | | Definition date: | 2020-11-24 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | [2,7-dimethoxy-9-[[(3~{S})-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol |
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 | | 7IH | | Name: | N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide | | Formula: | C18 H21 N5 O2 | | SMILES: | CC(C)C1CNC(=O)c2cc(nn12)c1ccnc(NC(=O)C2CC2)c1 | | InChi: | InChI=1S/C18H21N5O2/c1-10(2)15-9-20-18(25)14-8-13(22-23(14)15)12-5-6-19-16(7-12)21-17(24)11-3-4-11/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,25)(H,19,21,24)/t15-/m0/s1 | | Definition date: | 2021-08-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide |
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 | | 7IK | | Name: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one | | Formula: | C14 H22 N4 O2 | | SMILES: | CC(C)C1CNC(=O)c2cc(nn21)N1CCOCC1C | | InChi: | InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12+/m1/s1 | | Definition date: | 2021-08-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one |
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 | | 7IQ | | Name: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one | | Formula: | C14 H20 N4 O2 | | SMILES: | O=C1NC2CCCC2n2nc(cc21)N1CCOCC1C | | InChi: | InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1 | | Definition date: | 2021-08-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one |
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 | | 7OT | | Name: | SPHEROIDENE | | Formula: | C41 H60 O | | SMILES: | COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C | | InChi: | InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+ | | Synonyms: | (6E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene | | Definition date: | 2021-08-13 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene |
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 | | 7PW | | Name: | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide | | Formula: | C32 H22 F3 N5 O2 | | SMILES: | Fc1ccc(cc1)c1cc(F)c(c(F)c1)C(Cn1ccnc1)NC(=O)c1ccc(cc1)c1nnc(o1)c1ccccc1 | | InChi: | InChI=1S/C32H22F3N5O2/c33-25-12-10-20(11-13-25)24-16-26(34)29(27(35)17-24)28(18-40-15-14-36-19-40)37-30(41)21-6-8-23(9-7-21)32-39-38-31(42-32)22-4-2-1-3-5-22/h1-17,19,28H,18H2,(H,37,41)/t28-/m0/s1 | | Definition date: | 2021-08-17 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide |
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 | | 7UK | | Name: | (R)-4-hydroxy-2-pyrrolidone | | Formula: | C4 H7 N O2 | | SMILES: | O[CH]1CNC(=O)C1 | | InChi: | InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1 | | Synonyms: | (4R)-4-oxidanylpyrrolidin-2-one | | Definition date: | 2021-09-01 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (4~{R})-4-oxidanylpyrrolidin-2-one |
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 | | RWH | | Name: | 3-(3-methyl-3-phenethylureido)benzenesulfonamide | | Formula: | C16 H19 N3 O3 S | | SMILES: | CN(CCc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O)=O | | InChi: | InChI=1S/C16H19N3O3S/c1-19(11-10-13-6-3-2-4-7-13)16(20)18-14-8-5-9-15(12-14)23(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22) | | Synonyms: | 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea | | Definition date: | 2020-10-27 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea |
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 | | H99 | | Name: | 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine | | Formula: | C22 H24 F2 N2 O2 S | | SMILES: | COc1ccc2nc3c(cc(OC)cc3c(SCC4CCNCC4)c2c1)C(F)F | | InChi: | InChI=1S/C22H24F2N2O2S/c1-27-14-3-4-19-16(9-14)21(29-12-13-5-7-25-8-6-13)17-10-15(28-2)11-18(22(23)24)20(17)26-19/h3-4,9-11,13,22,25H,5-8,12H2,1-2H3 | | Definition date: | 2020-12-01 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine |
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 | | ZP7 | | Name: | (2S)-2,3-dihydroxypropyl hexadecanoate | | Formula: | C19 H38 O4 | | SMILES: | OCC(O)COC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1 | | Definition date: | 2021-05-18 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | (2S)-2,3-dihydroxypropyl hexadecanoate |
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 | | ZPD | | Name: | (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate | | Formula: | C39 H79 O8 P | | SMILES: | OC1C(CC(OP(=O)(O)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C(O)C1O)CO | | InChi: | InChI=1S/C39H79O8P/c1-7-8-9-10-11-17-30(2)18-12-19-31(3)20-13-21-32(4)22-14-23-33(5)24-15-25-34(6)26-16-27-46-48(44,45)47-36-28-35(29-40)37(41)39(43)38(36)42/h30-43H,7-29H2,1-6H3,(H,44,45)/t30-,31-,32-,33+,34-,35+,36+,37+,38+,39-/m0/s1 | | Definition date: | 2021-05-18 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate |
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 | | ZQ4 | | Name: | 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol | | Formula: | C39 H79 O8 P | | SMILES: | OP(=O)(CC1OC(CO)C(O)C(O)C1O)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC | | InChi: | InChI=1S/C39H79O8P/c1-7-8-9-10-11-17-30(2)18-12-19-31(3)20-13-21-32(4)22-14-23-33(5)24-15-25-34(6)26-16-27-46-48(44,45)29-36-38(42)39(43)37(41)35(28-40)47-36/h30-43H,7-29H2,1-6H3,(H,44,45)/t30-,31+,32+,33-,34+,35+,36-,37+,38+,39-/m0/s1 | | Definition date: | 2021-05-19 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol |
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 | | ZQ7 | | Name: | 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol | | Formula: | C39 H77 F2 O8 P | | SMILES: | OP(=O)(OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C(F)(F)C1OC(CO)C(O)C(O)C1O | | InChi: | InChI=1S/C39H77F2O8P/c1-7-8-9-10-11-17-29(2)18-12-19-30(3)20-13-21-31(4)22-14-23-32(5)24-15-25-33(6)26-16-27-48-50(46,47)39(40,41)38-37(45)36(44)35(43)34(28-42)49-38/h29-38,42-45H,7-28H2,1-6H3,(H,46,47)/t29-,30-,31-,32-,33-,34+,35+,36-,37-,38+/m0/s1 | | Definition date: | 2021-05-19 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol |
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 | | ZR1 | | Name: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol | | Formula: | C22 H23 F3 N4 O3 | | SMILES: | FC(F)c1cc(OC2CC(C(O)C2O)n2ccc3c(C)ncnc32)c2CNCCc2c1F | | InChi: | InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17+,19+,20-/m1/s1 | | Definition date: | 2021-05-21 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol |
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 | | ZR4 | | Name: | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C17 H16 Cl F N4 O4 | | SMILES: | Clc1ccc(cc1F)C(O)C1OC(n2ccc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C17H16ClFN4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1 | | Definition date: | 2021-05-21 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | YNG | | Name: | 7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide | | Formula: | C42 H38 N12 O8 | | SMILES: | NC=1N=CN(CC2CN(c3cc(O)c4[NH]cc(C)c4c32)C(=O)c2cc3c([NH]2)c(OC)c(O)c2c3CCN2C(=O)c2[NH]c3c(OC)c(O)c4c(CCN4C(N)=O)c3c2)C2=NC=NC2=1 | | InChi: | InChI=1S/C42H38N12O8/c1-16-11-45-30-25(55)10-24-27(26(16)30)17(12-51-15-48-38(43)31-39(51)47-14-46-31)13-54(24)41(59)23-9-20-18-4-6-52(32(18)34(56)36(61-2)28(20)50-23)40(58)22-8-21-19-5-7-53(42(44)60)33(19)35(57)37(62-3)29(21)49-22/h8-11,14-15,17,45,49-50,55-57H,4-7,12-13,43H2,1-3H3,(H2,44,60)/t17-/m1/s1 | | Definition date: | 2021-03-14 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | 7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide |
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 | | YNY | | Name: | methyl (8R)-8-{[(4P)-6-amino-3H-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate | | Formula: | C30 H28 N8 O7 | | SMILES: | COc1cc2cc([NH]c2c(OC)c1OC)C(=O)N1CC(CN2C=NC(N)=C3N=CN=C32)c2c1cc(O)c1[NH]c(cc12)C(=O)OC | | InChi: | InChI=1S/C30H28N8O7/c1-42-20-6-13-5-16(35-22(13)26(44-3)25(20)43-2)29(40)38-10-14(9-37-12-34-27(31)24-28(37)33-11-32-24)21-15-7-17(30(41)45-4)36-23(15)19(39)8-18(21)38/h5-8,11-12,14,35-36,39H,9-10,31H2,1-4H3/t14-/m1/s1 | | Definition date: | 2021-03-15 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | methyl (8R)-8-{[(4P)-6-amino-3H-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate |
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 | | YA3 | | Name: | 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide | | Formula: | C41 H41 Cl N12 O6 S | | SMILES: | Cc8c(C)c7C(c1ccc(Cl)cc1)=NC(CC(=O)NCc5cn(CCCCNC(CNc2cccc3c2C(N(C3=O)C4C(NC(CC4)=O)=O)=O)=O)nn5)c6nnc(n6c7s8)C | | InChi: | InChI=1S/C41H41ClN12O6S/c1-21-22(2)61-41-34(21)36(24-9-11-25(42)12-10-24)46-29(37-50-48-23(3)53(37)41)17-32(56)45-18-26-20-52(51-49-26)16-5-4-15-43-33(57)19-44-28-8-6-7-27-35(28)40(60)54(39(27)59)30-13-14-31(55)47-38(30)58/h6-12,20,29-30,44H,4-5,13-19H2,1-3H3,(H,43,57)(H,45,56)(H,47,55,58)/t29-,30?/m0/s1 | | Definition date: | 2020-05-11 | | Last modified: | 2021-11-12 | | Release date: | 2021-11-17 | | Identifier: | N-(4-{4-[({[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetyl}amino)methyl]-1H-1,2,3-triazol-1-yl}butyl)-N~2~-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]glycinamide |
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