 | | I8B | | Name: | (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid | | Formula: | C24 H28 N4 O4 S | | SMILES: | Cc1ccc(c2ccccc12)[S](=O)(=O)N[CH](CCN)C(=O)N[CH](Cc3ccccc3)C(O)=N | | InChi: | InChI=1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-29 | | Release date: | 2022-08-03 | | Identifier: | (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid |
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 | | KJB | | Name: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one | | Formula: | C28 H33 F3 N8 O2 | | SMILES: | CC(c1ccnc(NC2Nc3ccc(cc3N2)c2ncncc2OC(C)C)c1)N1CCN(CC1)C(=O)CC(F)(F)F | | InChi: | InChI=1S/C28H33F3N8O2/c1-17(2)41-23-15-32-16-34-26(23)20-4-5-21-22(12-20)36-27(35-21)37-24-13-19(6-7-33-24)18(3)38-8-10-39(11-9-38)25(40)14-28(29,30)31/h4-7,12-13,15-18,27,35-36H,8-11,14H2,1-3H3,(H,33,37)/t18-,27+/m1/s1 | | Definition date: | 2019-05-22 | | Last modified: | 2022-07-26 | | Release date: | 2020-04-01 | | Identifier: | 3,3,3-trifluoro-1-{4-[(1R)-1-(2-{[(2S,5M)-5-{5-[(propan-2-yl)oxy]pyrimidin-4-yl}-2,3-dihydro-1H-benzimidazol-2-yl]amino}pyridin-4-yl)ethyl]piperazin-1-yl}propan-1-one |
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 | | 3UI | | Name: | N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide | | Formula: | C21 H23 Cl F3 N3 O4 S | | SMILES: | CC[S](=O)(=O)c1ccc(Cl)cc1CNC(=O)c2cc(OC(F)(F)F)cc(c2)N3CCNCC3 | | InChi: | InChI=1S/C21H23ClF3N3O4S/c1-2-33(30,31)19-4-3-16(22)9-15(19)13-27-20(29)14-10-17(28-7-5-26-6-8-28)12-18(11-14)32-21(23,24)25/h3-4,9-12,26H,2,5-8,13H2,1H3,(H,27,29) | | Definition date: | 2021-07-21 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | ~{N}-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide |
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 | | T0K | | Name: | (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide | | Formula: | C33 H36 N4 O2 S | | SMILES: | O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1 | | InChi: | InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31-/m0/s1 | | Definition date: | 2022-07-14 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide |
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 | | V6N | | Name: | (~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide | | Formula: | C17 H19 N5 O2 | | SMILES: | O=C(NCCN1CCOCC1)C(=Cc2ccc3c[nH]nc3c2)C#N | | InChi: | InChI=1S/C17H19N5O2/c18-11-15(9-13-1-2-14-12-20-21-16(14)10-13)17(23)19-3-4-22-5-7-24-8-6-22/h1-2,9-10,12H,3-8H2,(H,19,23)(H,20,21)/b15-9+ | | Definition date: | 2021-04-20 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide |
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 | | V6Q | | Name: | (2-methoxyphenyl)methanamine | | Formula: | C8 H11 N O | | SMILES: | COc1ccccc1CN | | InChi: | InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3 | | Definition date: | 2021-04-20 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (2-methoxyphenyl)methanamine |
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 | | 0I1 | | Name: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone | | Formula: | C19 H20 F2 N4 O | | SMILES: | FC1CN(C1)C(=O)C1CCN(CC1)c1cncnc1c1ccc(F)cc1 | | InChi: | InChI=1S/C19H20F2N4O/c20-15-3-1-13(2-4-15)18-17(9-22-12-23-18)24-7-5-14(6-8-24)19(26)25-10-16(21)11-25/h1-4,9,12,14,16H,5-8,10-11H2 | | Definition date: | 2021-06-09 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone |
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 | | JHF | | Name: | (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one | | Formula: | C29 H32 F N5 O5 S | | SMILES: | COc1ccc(cc1F)N2[CH](CCCC2=O)c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C | | InChi: | InChI=1S/C29H32FN5O5S/c1-17-28(18(2)40-32-17)19-8-10-24-23(14-19)31-29(35(24)21-12-13-33(16-21)41(4,37)38)25-6-5-7-27(36)34(25)20-9-11-26(39-3)22(30)15-20/h8-11,14-15,21,25H,5-7,12-13,16H2,1-4H3/t21-,25+/m1/s1 | | Definition date: | 2022-04-21 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (6~{S})-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3~{R})-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one |
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 | | JHL | | Name: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one | | Formula: | C30 H32 F2 N4 O3 | | SMILES: | CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6ccc(F)c(F)c6 | | InChi: | InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22-,27-/m0/s1 | | Synonyms: | CCS1477 | | Definition date: | 2022-04-21 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (6~{S})-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one |
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 | | KXX | | Name: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone | | Formula: | C43 H69 N O12 | | SMILES: | OC1CCC(CC1OC)C=C(/C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(CC(C)CC(C)=CC(CC)C(=O)CC(O)C1C)OC)C(CC2C)OC | | InChi: | InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1 | | Definition date: | 2022-02-21 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone |
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 | | L49 | | Name: | (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate | | Formula: | C19 H14 F4 N2 O2 | | SMILES: | FC(F)(F)c1cccc(c1)C(=O)OC(Cn1ccnc1)c1ccc(F)cc1 | | InChi: | InChI=1S/C19H14F4N2O2/c20-16-6-4-13(5-7-16)17(11-25-9-8-24-12-25)27-18(26)14-2-1-3-15(10-14)19(21,22)23/h1-10,12,17H,11H2/t17-/m1/s1 | | Definition date: | 2021-07-23 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate |
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 | | NH0 | | Name: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Formula: | C30 H37 N3 O3 S | | SMILES: | CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1ccncc1 | | InChi: | InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(20-24-10-6-4-7-11-24)22-37-27(21-25-12-8-5-9-13-25)28(34)32-19-16-23-14-17-31-18-15-23/h4-15,17-18,26-27H,16,19-22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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 | | NI6 | | Name: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Formula: | C31 H39 N3 O3 S | | SMILES: | CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1ccncc1 | | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(21-25-11-6-4-7-12-25)23-38-28(22-26-13-8-5-9-14-26)29(35)33-18-10-15-24-16-19-32-20-17-24/h4-9,11-14,16-17,19-20,27-28H,10,15,18,21-23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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 | | NJ0 | | Name: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide | | Formula: | C31 H32 N4 O2 S | | SMILES: | O=C(Cc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCc1cccnc1 | | InChi: | InChI=1S/C31H32N4O2S/c36-30(19-26-13-7-15-32-20-26)35-28(17-24-9-3-1-4-10-24)23-38-29(18-25-11-5-2-6-12-25)31(37)34-22-27-14-8-16-33-21-27/h1-16,20-21,28-29H,17-19,22-23H2,(H,34,37)(H,35,36)/t28-,29+/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide |
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 | | NJO | | Name: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide | | Formula: | C33 H36 N4 O2 S | | SMILES: | O=C(CCc1cccnc1)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1cccnc1 | | InChi: | InChI=1S/C33H36N4O2S/c38-32(16-15-28-13-7-18-34-23-28)37-30(21-26-9-3-1-4-10-26)25-40-31(22-27-11-5-2-6-12-27)33(39)36-20-17-29-14-8-19-35-24-29/h1-14,18-19,23-24,30-31H,15-17,20-22,25H2,(H,36,39)(H,37,38)/t30-,31+/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide |
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 | | NKF | | Name: | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile | | Formula: | C22 H24 N6 O | | SMILES: | N#Cc1cccc(c1C)C(C)Nc1nnc(C)c2cnc(cc12)N1CCOCC1 | | InChi: | InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1 | | Definition date: | 2022-04-05 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile |
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 | | NL0 | | Name: | 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine | | Formula: | C23 H26 F3 N5 | | SMILES: | FC(F)(F)c1cccc(c1C)C(C)Nc1nnc(C)c2ccc(cc12)N1CCNCC1 | | InChi: | InChI=1S/C23H26F3N5/c1-14-18(5-4-6-21(14)23(24,25)26)15(2)28-22-20-13-17(31-11-9-27-10-12-31)7-8-19(20)16(3)29-30-22/h4-8,13,15,27H,9-12H2,1-3H3,(H,28,30)/t15-/m1/s1 | | Definition date: | 2022-04-05 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine |
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 | | NXR | | Name: | N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide | | Formula: | C32 H34 N4 O2 S | | SMILES: | O=C(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1 | | InChi: | InChI=1S/C32H34N4O2S/c37-31(28-16-9-18-34-23-28)36-29(20-25-10-3-1-4-11-25)24-39-30(21-26-12-5-2-6-13-26)32(38)35-19-8-15-27-14-7-17-33-22-27/h1-7,9-14,16-18,22-23,29-30H,8,15,19-21,24H2,(H,35,38)(H,36,37)/t29-,30+/m0/s1 | | Definition date: | 2022-04-13 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide |
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 | | 8EH | | Name: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide | | Formula: | C24 H27 N7 O5 S | | SMILES: | COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O)c3ncc(C)cn3)nnc2c4cccc(C)n4 | | InChi: | InChI=1S/C24H27N7O5S/c1-14-12-25-22(26-13-14)21(32)16(3)37(33,34)30-24-29-28-23(17-9-6-8-15(2)27-17)31(24)20-18(35-4)10-7-11-19(20)36-5/h6-13,16,21,32H,1-5H3,(H,29,30)/t16-,21-/m0/s1 | | Definition date: | 2021-12-09 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1~{R},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide |
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 | | NYF | | Name: | N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide | | Formula: | C34 H37 N5 O3 S | | SMILES: | O=C(NCC(=O)NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1cccnc1)c1cccnc1 | | InChi: | InChI=1S/C34H37N5O3S/c40-32(24-38-33(41)29-16-9-18-36-23-29)39-30(20-26-10-3-1-4-11-26)25-43-31(21-27-12-5-2-6-13-27)34(42)37-19-8-15-28-14-7-17-35-22-28/h1-7,9-14,16-18,22-23,30-31H,8,15,19-21,24-25H2,(H,37,42)(H,38,41)(H,39,40)/t30-,31+/m0/s1 | | Definition date: | 2022-04-13 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide |
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 | | QCR | | Name: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol | | Formula: | C20 H25 F N8 O | | SMILES: | CC(C)c1nnc(NC)c2cnc(cc12)Nc1nc(ncc1)N1CCC(O)C(F)C1 | | InChi: | InChI=1S/C20H25FN8O/c1-11(2)18-12-8-17(24-9-13(12)19(22-3)28-27-18)25-16-4-6-23-20(26-16)29-7-5-15(30)14(21)10-29/h4,6,8-9,11,14-15,30H,5,7,10H2,1-3H3,(H,22,28)(H,23,24,25,26)/t14-,15+/m0/s1 | | Definition date: | 2022-06-07 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol |
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 | | QFO | | Name: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol | | Formula: | C26 H34 F N7 O3 S | | SMILES: | CS(=O)(=O)CC1CN(C1)c1ncc(C(C)C)c2cc(ncc21)Nc1nc(ncc1)N1CCC(O)C(C)(F)C1 | | InChi: | InChI=1S/C26H34FN7O3S/c1-16(2)19-10-30-24(34-12-17(13-34)14-38(4,36)37)20-11-29-23(9-18(19)20)31-22-5-7-28-25(32-22)33-8-6-21(35)26(3,27)15-33/h5,7,9-11,16-17,21,35H,6,8,12-15H2,1-4H3,(H,28,29,31,32)/t21-,26+/m1/s1 | | Definition date: | 2022-06-08 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol |
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 | | QG5 | | Name: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | | Formula: | C18 H15 N5 O2 | | SMILES: | NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C | | InChi: | InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25) | | Definition date: | 2022-06-09 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
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 | | QGI | | Name: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide | | Formula: | C18 H20 N4 O2 | | SMILES: | NC(=O)c1c2cc(C)c(C)nc2n(c1N)c1c(C)ccc(O)c1C | | InChi: | InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24) | | Definition date: | 2022-06-09 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide |
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 | | QGR | | Name: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | | Formula: | C19 H16 Br N5 O2 | | SMILES: | NC(=O)c1c2nc3cc(Br)ccc3nc2n(c1N)c1c(C)ccc(O)c1C | | InChi: | InChI=1S/C19H16BrN5O2/c1-8-3-6-13(26)9(2)16(8)25-17(21)14(18(22)27)15-19(25)24-11-5-4-10(20)7-12(11)23-15/h3-7,26H,21H2,1-2H3,(H2,22,27) | | Definition date: | 2022-06-09 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
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