 | | 5N9 | | Name: | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine | | Formula: | C20 H18 Cl F3 N4 O | | SMILES: | CC(C)Oc1ccc(cc1Cl)c2ncc(CNc3ccnc(c3)C(F)(F)F)cn2 | | InChi: | InChI=1S/C20H18ClF3N4O/c1-12(2)29-17-4-3-14(7-16(17)21)19-27-10-13(11-28-19)9-26-15-5-6-25-18(8-15)20(22,23)24/h3-8,10-12H,9H2,1-2H3,(H,25,26) | | Definition date: | 2021-07-13 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
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 | | 3KI | | Name: | (6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid | | Formula: | C16 H20 O4 | | SMILES: | O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C | | InChi: | InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15-/m1/s1 | | Definition date: | 2021-07-20 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid |
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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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 | | 70I | | Name: | 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one | | Formula: | C29 H28 Cl2 F N11 O2 | | SMILES: | FC1CN(CCCC(=O)N2CCN(CC2)c3ncc4ncnc(Nc5cc(Cl)c(Oc6ccn7ncnc7c6)c(Cl)c5)c4n3)C1 | | InChi: | InChI=1S/C29H28Cl2FN11O2/c30-21-10-19(11-22(31)27(21)45-20-3-5-43-24(12-20)35-17-37-43)38-28-26-23(34-16-36-28)13-33-29(39-26)42-8-6-41(7-9-42)25(44)2-1-4-40-14-18(32)15-40/h3,5,10-13,16-18H,1-2,4,6-9,14-15H2,(H,34,36,38) | | Definition date: | 2021-08-03 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one |
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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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 | | 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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 | | 8G9 | | Name: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C26 H45 N5 O5 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C26H45N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-16-17(26(16,7)8)18(31)21(34)28-15(13-32)11-14-9-10-27-20(14)33/h14-19,32H,9-13H2,1-8H3,(H,27,33)(H,28,34)(H2,29,30,36)/t14-,15-,16-,17-,18-,19+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | 8GW | | Name: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C31 H52 N6 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCC3CC3)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C31H52N6O6/c1-29(2,3)23(35-28(43)36-30(4,5)6)27(42)37-15-18-20(31(18,7)8)21(37)25(40)34-19(13-17-11-12-32-24(17)39)22(38)26(41)33-14-16-9-10-16/h16-23,38H,9-15H2,1-8H3,(H,32,39)(H,33,41)(H,34,40)(H2,35,36,43)/t17-,18-,19-,20-,21-,22+,23+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | 8H3 | | Name: | (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C31 H54 N6 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCCCC)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C31H54N6O6/c1-10-11-13-32-26(41)22(38)19(15-17-12-14-33-24(17)39)34-25(40)21-20-18(31(20,8)9)16-37(21)27(42)23(29(2,3)4)35-28(43)36-30(5,6)7/h17-23,38H,10-16H2,1-9H3,(H,32,41)(H,33,39)(H,34,40)(H2,35,36,43)/t17-,18-,19-,20-,21-,22+,23+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | 8H9 | | Name: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C33 H58 N6 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCCCCCC)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C33H58N6O6/c1-10-11-12-13-15-34-28(43)24(40)21(17-19-14-16-35-26(19)41)36-27(42)23-22-20(33(22,8)9)18-39(23)29(44)25(31(2,3)4)37-30(45)38-32(5,6)7/h19-25,40H,10-18H2,1-9H3,(H,34,43)(H,35,41)(H,36,42)(H2,37,38,45)/t19-,20-,21-,22-,23-,24+,25+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | 8I0 | | Name: | (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C34 H52 N6 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCc3ccccc3)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C34H52N6O6/c1-32(2,3)26(38-31(46)39-33(4,5)6)30(45)40-18-21-23(34(21,7)8)24(40)28(43)37-22(16-20-14-15-35-27(20)42)25(41)29(44)36-17-19-12-10-9-11-13-19/h9-13,20-26,41H,14-18H2,1-8H3,(H,35,42)(H,36,44)(H,37,43)(H2,38,39,46)/t20-,21-,22-,23-,24-,25+,26+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | 8I7 | | Name: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C26 H44 N4 O5 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)CC(C)C)C(C)(C)C | | InChi: | InChI=1S/C26H44N4O5/c1-14(2)10-18(32)29-21(25(3,4)5)24(35)30-12-17-19(26(17,6)7)20(30)23(34)28-16(13-31)11-15-8-9-27-22(15)33/h14-17,19-21,31H,8-13H2,1-7H3,(H,27,33)(H,28,34)(H,29,32)/t15-,16-,17-,19-,20-,21+/m0/s1 | | Definition date: | 2021-09-16 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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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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 | | 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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