 | | 6XP | | Name: | (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide | | Formula: | C18 H18 Cl N3 O3 | | SMILES: | Clc1ccc(c2c1C(C(=O)N2)NNC(=O)C(c3ccc(O)cc3)C)C | | InChi: | InChI=1S/C18H18ClN3O3/c1-9-3-8-13(19)14-15(9)20-18(25)16(14)21-22-17(24)10(2)11-4-6-12(23)7-5-11/h3-8,10,16,21,23H,1-2H3,(H,20,25)(H,22,24)/t10-,16?/m0/s1 | | Definition date: | 2011-08-31 | | Last modified: | 2024-09-06 | | Identifier: | (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide |
|
 | | A1A1W | | Name: | N-{[(2R)-4-(bicyclo[1.1.1]pentan-1-yl)-5-oxomorpholin-2-yl]methyl}-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide | | Formula: | C21 H23 F3 N2 O3 | | SMILES: | O=C1COC(CN1C12CC(C1)C2)CNC(=O)C1(CC1)c1ccc(cc1)C(F)(F)F | | InChi: | InChI=1S/C21H23F3N2O3/c22-21(23,24)15-3-1-14(2-4-15)20(5-6-20)18(28)25-10-16-11-26(17(27)12-29-16)19-7-13(8-19)9-19/h1-4,13,16H,5-12H2,(H,25,28)/t13-,16-,19-/m1/s1 | | Definition date: | 2024-08-13 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | N-{[(2R)-4-(bicyclo[1.1.1]pentan-1-yl)-5-oxomorpholin-2-yl]methyl}-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide |
|
 | | A1A2A | | Name: | 1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide | | Formula: | C24 H25 Cl N2 O3 | | SMILES: | O=C1COC(CN1C1Cc2ccccc2C1)CNC(=O)C1(CC1)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C24H25ClN2O3/c25-19-7-5-18(6-8-19)24(9-10-24)23(29)26-13-21-14-27(22(28)15-30-21)20-11-16-3-1-2-4-17(16)12-20/h1-8,20-21H,9-15H2,(H,26,29)/t21-/m1/s1 | | Definition date: | 2024-08-15 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide |
|
 | | A1D85 | | Name: | 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide | | Formula: | C25 H29 N5 O2 | | SMILES: | Cc1ccc(O)c(C)c1c2cc(cc(C(N)=O)c2N)c3ccnc(c3)N4CCCNCC4 | | InChi: | InChI=1S/C25H29N5O2/c1-15-4-5-21(31)16(2)23(15)19-12-18(13-20(24(19)26)25(27)32)17-6-8-29-22(14-17)30-10-3-7-28-9-11-30/h4-6,8,12-14,28,31H,3,7,9-11,26H2,1-2H3,(H2,27,32) | | Definition date: | 2024-06-11 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide |
|
 | | A1IG6 | | Name: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide | | Formula: | C25 H30 F N9 O | | SMILES: | CCC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)c(F)cc1N5CCC[CH](C5)NC | | InChi: | InChI=1S/C25H30FN9O/c1-3-24(36)32-20-10-19(18(26)9-21(20)34-8-4-5-17(14-34)28-2)31-22-11-23(30-16-6-7-16)35-25(33-22)15(12-27)13-29-35/h9-11,13,16-17,28,30H,3-8,14H2,1-2H3,(H,31,33)(H,32,36)/t17-/m0/s1 | | Synonyms: | 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid | | Definition date: | 2024-07-03 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide |
|
 | | A1IM8 | | Name: | (2~{R})-2-azanyl-~{N}-methyl-3-pyridin-4-yl-propanamide | | Formula: | C9 H13 N3 O | | SMILES: | CNC(=O)[CH](N)Cc1ccncc1 | | InChi: | InChI=1S/C9H13N3O/c1-11-9(13)8(10)6-7-2-4-12-5-3-7/h2-5,8H,6,10H2,1H3,(H,11,13)/t8-/m1/s1 | | Definition date: | 2024-08-31 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | (2~{R})-2-azanyl-~{N}-methyl-3-pyridin-4-yl-propanamide |
|
 | | A1IMU | | Name: | (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide | | Formula: | C27 H34 N6 O6 | | SMILES: | CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Nc4ccccc4)C3=O | | InChi: | InChI=1S/C27H34N6O6/c1-28-25(37)22(34)20(15-17-11-12-29-23(17)35)31-24(36)21(14-16-9-10-16)33-13-5-8-19(26(33)38)32-27(39)30-18-6-3-2-4-7-18/h2-8,13,16-17,20-22,34H,9-12,14-15H2,1H3,(H,28,37)(H,29,35)(H,31,36)(H2,30,32,39)/t17-,20+,21?,22+/m1/s1 | | Definition date: | 2024-08-28 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide |
|
 | | QB9 | | Name: | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide | | Formula: | C10 H12 N4 O3 S | | SMILES: | NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CC2 | | InChi: | InChI=1S/C10H12N4O3S/c11-9-7(6-12-10(15)14-9)2-1-5-13-18(16,17)8-3-4-8/h6,8,13H,3-5H2,(H3,11,12,14,15) | | Synonyms: | N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopropanesulfonamide | | Definition date: | 2023-08-29 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide |
|
 | | UCQ | | Name: | (2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid | | Formula: | C9 H15 N3 O2 | | SMILES: | CN(C)[CH](Cc1cncn1C)C(O)=O | | InChi: | InChI=1S/C9H15N3O2/c1-11(2)8(9(13)14)4-7-5-10-6-12(7)3/h5-6,8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1 | | Definition date: | 2023-09-04 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | (2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid |
|
 | | UKO | | Name: | ~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide | | Formula: | C14 H18 N4 O3 S2 | | SMILES: | NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[CH]3CCCS3 | | InChi: | InChI=1S/C14H18N4O3S2/c15-13-10(3-1-7-16-23(20,21)11-5-6-11)9-18(14(19)17-13)12-4-2-8-22-12/h9,11-12,16H,2,4-8H2,(H2,15,17,19)/t12-/m1/s1 | | Definition date: | 2023-09-06 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | ~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide |
|
 | | WJI | | Name: | (1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide | | Formula: | C19 H23 Br N4 O | | SMILES: | CC(C)CC1C(C(=O)Nc2nc(Br)c(cc2)c2ncccn2)C1(C)C | | InChi: | InChI=1S/C19H23BrN4O/c1-11(2)10-13-15(19(13,3)4)18(25)24-14-7-6-12(16(20)23-14)17-21-8-5-9-22-17/h5-9,11,13,15H,10H2,1-4H3,(H,23,24,25)/t13-,15+/m0/s1 | | Definition date: | 2023-10-05 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | (1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide |
|
 | | WM8 | | Name: | 2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide | | Formula: | C13 H18 Cl N O2 | | SMILES: | CC(C)NC(=O)COc1cc(C)c(Cl)c(C)c1 | | InChi: | InChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16) | | Definition date: | 2023-10-10 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide |
|
 | | A1H2J | | Name: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione | | Formula: | C16 H14 Cl2 N6 O4 | | SMILES: | CC(C)C1=CC(=NNC1=O)Oc2c(Cl)cc(cc2Cl)N3N=C(N)C(=O)NC3=O | | InChi: | InChI=1S/C16H14Cl2N6O4/c1-6(2)8-5-11(21-22-14(8)25)28-12-9(17)3-7(4-10(12)18)24-16(27)20-15(26)13(19)23-24/h3-6H,1-2H3,(H2,19,23)(H,22,25)(H,20,26,27) | | Definition date: | 2024-01-19 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione |
|
 | | A1H59 | | Name: | ~{N}-[(2~{S})-3-cyclobutyl-1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-(iminomethyl)pyridine-4-carboxamide | | Formula: | C35 H40 N8 O4 | | SMILES: | CNC(=O)[CH](Cc1ccncc1)NC(=O)C[CH](Cc2c[nH]c3ccccc23)NC(=O)[CH](CC4CCC4)NC(=O)c5ccnc(C=N)c5 | | InChi: | InChI=1S/C35H40N8O4/c1-37-34(46)30(16-23-9-12-38-13-10-23)42-32(44)19-26(18-25-21-40-29-8-3-2-7-28(25)29)41-35(47)31(15-22-5-4-6-22)43-33(45)24-11-14-39-27(17-24)20-36/h2-3,7-14,17,20-22,26,30-31,36,40H,4-6,15-16,18-19H2,1H3,(H,37,46)(H,41,47)(H,42,44)(H,43,45)/b36-20+/t26-,30-,31+/m1/s1 | | Definition date: | 2024-03-14 | | Last modified: | 2024-09-04 | | Release date: | 2024-09-04 | | Identifier: | ~{N}-[(2~{S})-3-cyclobutyl-1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-(iminomethyl)pyridine-4-carboxamide |
|
 | | A1H7L | | Name: | (2~{S})-2-[[(3~{R})-3-[[(2~{R})-2-[(2-cyanopyridin-4-yl)carbonylamino]hexanoyl]amino]-4-(1~{H}-indol-3-yl)butanoyl]amino]-3-pyridin-4-yl-propanoic acid | | Formula: | C33 H35 N7 O5 | | SMILES: | CCCC[CH](NC(=O)c1ccnc(c1)C#N)C(=O)N[CH](CC(=O)N[CH](Cc2ccncc2)C(O)=O)Cc3c[nH]c4ccccc34 | | InChi: | InChI=1S/C33H35N7O5/c1-2-3-7-28(40-31(42)22-11-14-36-25(16-22)19-34)32(43)38-24(17-23-20-37-27-8-5-4-6-26(23)27)18-30(41)39-29(33(44)45)15-21-9-12-35-13-10-21/h4-6,8-14,16,20,24,28-29,37H,2-3,7,15,17-18H2,1H3,(H,38,43)(H,39,41)(H,40,42)(H,44,45)/t24-,28-,29+/m1/s1 | | Definition date: | 2024-04-03 | | Last modified: | 2024-09-04 | | Release date: | 2024-09-04 | | Identifier: | (2~{S})-2-[[(3~{R})-3-[[(2~{R})-2-[(2-cyanopyridin-4-yl)carbonylamino]hexanoyl]amino]-4-(1~{H}-indol-3-yl)butanoyl]amino]-3-pyridin-4-yl-propanoic acid |
|
 | | VNG | | Name: | N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide | | Formula: | C15 H12 N4 O2 S | | SMILES: | O=C(Nc1cc(ccn1)c2sc(cc2)c3nocn3)C4CC4 | | InChi: | InChI=1S/C15H12N4O2S/c20-15(9-1-2-9)18-13-7-10(5-6-16-13)11-3-4-12(22-11)14-17-8-21-19-14/h3-9H,1-2H2,(H,16,18,20) | | Definition date: | 2023-09-14 | | Last modified: | 2024-08-30 | | Release date: | 2024-09-04 | | Identifier: | ~{N}-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide |
|
 | | A1AIS | | Name: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate | | Formula: | C41 H79 O13 P | | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38-,39+,40-,41-/m1/s1 | | Definition date: | 2024-03-22 | | Last modified: | 2024-08-30 | | Release date: | 2024-09-04 | | Identifier: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate |
|
 | | A1IB8 | | Name: | 6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine | | Formula: | C27 H25 F3 N8 O | | SMILES: | COc1ncnc(C2CC2)c1c3ncc4cnn(Cc5ccc(cc5)c6nc(cn6C(C)C)C(F)(F)F)c4n3 | | InChi: | InChI=1S/C27H25F3N8O/c1-15(2)37-13-20(27(28,29)30)35-24(37)18-6-4-16(5-7-18)12-38-25-19(11-34-38)10-31-23(36-25)21-22(17-8-9-17)32-14-33-26(21)39-3/h4-7,10-11,13-15,17H,8-9,12H2,1-3H3 | | Definition date: | 2024-05-20 | | Last modified: | 2024-08-30 | | Release date: | 2024-09-04 | | Identifier: | 6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine |
|
 | | A1ICK | | Name: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid | | Formula: | C24 H29 F2 N5 O2 S | | SMILES: | CSc1ccc(C[CH](C)C(O)=O)cc1Nc2nc(cc(C(F)F)c2C#N)N3CC[CH](C3)N(C)C | | InChi: | InChI=1S/C24H29F2N5O2S/c1-14(24(32)33)9-15-5-6-20(34-4)19(10-15)28-23-18(12-27)17(22(25)26)11-21(29-23)31-8-7-16(13-31)30(2)3/h5-6,10-11,14,16,22H,7-9,13H2,1-4H3,(H,28,29)(H,32,33)/t14-,16-/m0/s1 | | Definition date: | 2024-06-03 | | Last modified: | 2024-08-30 | | Release date: | 2024-09-04 | | Identifier: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid |
|
 | | A1LYZ | | Name: | (4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate | | Formula: | C22 H31 N3 O6 | | SMILES: | COc1ccc(COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)C=O)cc1 | | InChi: | InChI=1S/C22H31N3O6/c1-14(2)10-19(21(28)24-17(12-26)11-16-8-9-23-20(16)27)25-22(29)31-13-15-4-6-18(30-3)7-5-15/h4-7,12,14,16-17,19H,8-11,13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t16-,17-,19-/m0/s1 | | Definition date: | 2024-03-11 | | Last modified: | 2024-08-30 | | Release date: | 2024-09-04 | | Identifier: | (4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate |
|
 | | 7I7 | | Name: | N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide | | Formula: | C12 H24 N2 O5 S | | SMILES: | SCCC(=O)NCCOCCOCCOCCNC=O | | InChi: | InChI=1S/C12H24N2O5S/c15-11-13-2-4-17-6-8-19-9-7-18-5-3-14-12(16)1-10-20/h11,20H,1-10H2,(H,13,15)(H,14,16) | | Definition date: | 2021-08-05 | | Last modified: | 2024-08-29 | | Release date: | 2022-07-13 | | Identifier: | ~{N}-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide |
|
 | | U00 | | Name: | 3-[4-[3-[3,4-dimethoxy-5-[[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methoxy]phenyl]carbonyloxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate | | Formula: | C37 H48 N3 O12 | | SMILES: | COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OCc4ccc(cc4)[N](O)=O)c3)CC2 | | InChi: | InChI=1S/C37H48N3O12/c1-45-30-21-27(22-31(46-2)34(30)48-4)36(41)50-19-7-15-38-13-6-14-39(18-17-38)16-8-20-51-37(42)28-23-32(47-3)35(49-5)33(24-28)52-25-26-9-11-29(12-10-26)40(43)44/h9-12,21-24H,6-8,13-20,25H2,1-5H3,(H,43,44) | | Definition date: | 2023-08-28 | | Last modified: | 2024-08-23 | | Release date: | 2024-08-28 | | Identifier: | 3-[4-[3-[3,4-dimethoxy-5-[[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methoxy]phenyl]carbonyloxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate |
|
 | | X1Z | | Name: | ~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide | | Formula: | C29 H43 F2 N5 O6 S | | SMILES: | COC[CH](NC(=O)[CH](NC(=O)C1CCC(F)(F)CC1)C2CCCCC2)C(=O)NC3(CCC3)[CH](O)C(=O)NCc4sccn4 | | InChi: | InChI=1S/C29H43F2N5O6S/c1-42-17-20(25(39)36-28(10-5-11-28)23(37)27(41)33-16-21-32-14-15-43-21)34-26(40)22(18-6-3-2-4-7-18)35-24(38)19-8-12-29(30,31)13-9-19/h14-15,18-20,22-23,37H,2-13,16-17H2,1H3,(H,33,41)(H,34,40)(H,35,38)(H,36,39)/t20-,22-,23-/m1/s1 | | Definition date: | 2023-10-19 | | Last modified: | 2024-08-23 | | Release date: | 2024-08-28 | | Identifier: | ~{N}-[(1~{R})-1-cyclohexyl-2-[[(2~{R})-3-methoxy-1-oxidanylidene-1-[[1-[(1~{S})-1-oxidanyl-2-oxidanylidene-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclobutyl]amino]propan-2-yl]amino]-2-oxidanylidene-ethyl]-4,4-bis(fluoranyl)cyclohexane-1-carboxamide |
|
 | | W8E | | Name: | 3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol | | Formula: | C23 H30 O6 | | SMILES: | CCOc1cc(ccc1OC)[CH]2Oc3c(OCC)cc(CCCO)cc3[CH]2CO | | InChi: | InChI=1S/C23H30O6/c1-4-27-20-13-16(8-9-19(20)26-3)22-18(14-25)17-11-15(7-6-10-24)12-21(28-5-2)23(17)29-22/h8-9,11-13,18,22,24-25H,4-7,10,14H2,1-3H3/t18-,22+/m0/s1 | | Definition date: | 2023-09-21 | | Last modified: | 2024-08-23 | | Release date: | 2024-08-28 | | Identifier: | 3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol |
|
 | | W8O | | Name: | 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol | | Formula: | C21 H26 O6 | | SMILES: | COc1ccc(cc1OC)[CH]2Oc3c(OC)cc(CCCO)cc3[CH]2CO | | InChi: | InChI=1S/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3/t16-,20+/m0/s1 | | Definition date: | 2023-09-21 | | Last modified: | 2024-08-23 | | Release date: | 2024-08-28 | | Identifier: | 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol |
|
