 | | DRG | | Name: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE | | Formula: | C12 H11 N3 | | SMILES: | n1nc(N)cc3c1c2ccccc2CC3 | | InChi: | InChI=1S/C12H11N3/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2,(H2,13,14) | | Definition date: | 2003-04-24 | | Last modified: | 2021-10-22 | | Identifier: | 5,6-dihydrobenzo[h]cinnolin-3-amine |
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 | | 8MI | | Name: | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE | | Formula: | C25 H35 N6 O4 | | SMILES: | O=C(Nc1ccccc1)C(CCCNC(=[NH2+])N)NC(=O)C(CCc1ccccc1)NC(C)C(=O)O | | InChi: | InChI=1S/C25H34N6O4/c1-17(24(34)35)29-21(15-14-18-9-4-2-5-10-18)23(33)31-20(13-8-16-28-25(26)27)22(32)30-19-11-6-3-7-12-19/h2-7,9-12,17,20-21,29H,8,13-16H2,1H3,(H,30,32)(H,31,33)(H,34,35)(H4,26,27,28)/p+1/t17-,20+,21+/m1/s1 | | Definition date: | 2021-09-22 | | Last modified: | 2021-10-22 | | Release date: | 2021-09-29 | | Identifier: | amino{[(4S)-5-anilino-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxopentyl]amino}methaniminium |
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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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 | | RN5 | | Name: | 4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid | | Formula: | C27 H24 N2 O3 S | | SMILES: | C[CH]1C[CH](Nc2ccc3ccsc3c2)c4cc(ccc4N1C(C)=O)c5ccc(cc5)C(O)=O | | InChi: | InChI=1S/C27H24N2O3S/c1-16-13-24(28-22-9-7-19-11-12-33-26(19)15-22)23-14-21(8-10-25(23)29(16)17(2)30)18-3-5-20(6-4-18)27(31)32/h3-12,14-16,24,28H,13H2,1-2H3,(H,31,32)/t16-,24+/m0/s1 | | Synonyms: | 4-[(2~{S},4~{R})-4-(1-benzothiophen-6-ylamino)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-6-yl]benzoic acid | | Definition date: | 2020-10-09 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 4-[(2~{S},4~{R})-4-(1-benzothiophen-6-ylamino)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-6-yl]benzoic acid |
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 | | H1O | | Name: | 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole | | Formula: | C25 H23 N3 O3 | | SMILES: | COc1cc(cc(OC)c1OC)c2cccc3nc([nH]c23)c4cccc5n(C)ccc45 | | InChi: | InChI=1S/C25H23N3O3/c1-28-12-11-17-18(8-6-10-20(17)28)25-26-19-9-5-7-16(23(19)27-25)15-13-21(29-2)24(31-4)22(14-15)30-3/h5-14H,1-4H3,(H,26,27) | | Definition date: | 2020-10-20 | | Last modified: | 2021-10-15 | | Release date: | 2021-10-20 | | Identifier: | 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole |
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 | | UYK | | Name: | (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole | | Formula: | C25 H30 N4 O4 | | SMILES: | COC[CH](C)n1c(nc2cnc3cc(c(OC)cc3c12)c4c(C)onc4C)C5CCOCC5 | | InChi: | InChI=1S/C25H30N4O4/c1-14(13-30-4)29-24-18-11-22(31-5)19(23-15(2)28-33-16(23)3)10-20(18)26-12-21(24)27-25(29)17-6-8-32-9-7-17/h10-12,14,17H,6-9,13H2,1-5H3/t14-/m1/s1 | | Synonyms: | 4-[8-methoxy-1-[(2~{R})-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole | | Definition date: | 2021-03-29 | | Last modified: | 2021-10-08 | | Release date: | 2021-10-13 | | Identifier: | 4-[8-methoxy-1-[(2~{R})-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole |
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 | | YQ7 | | Name: | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one | | Formula: | C16 H12 Cl N5 O | | SMILES: | Cc1cnccc1c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl | | InChi: | InChI=1S/C16H12ClN5O/c1-8-7-18-4-3-10(8)11-5-12-14(6-13(11)17)20-16(23)22-15(12)19-9(2)21-22/h3-7H,1-2H3,(H,20,23) | | Definition date: | 2021-03-22 | | Last modified: | 2021-10-08 | | Release date: | 2021-10-13 | | Identifier: | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one |
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 | | YQD | | Name: | N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide | | Formula: | C18 H16 Cl N5 O3 S | | SMILES: | CS(=O)(=O)Nc1ccc(c(C)c1)c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl | | InChi: | InChI=1S/C18H16ClN5O3S/c1-9-6-11(23-28(3,26)27)4-5-12(9)13-7-14-16(8-15(13)19)21-18(25)24-17(14)20-10(2)22-24/h4-8,23H,1-3H3,(H,21,25) | | Definition date: | 2021-03-22 | | Last modified: | 2021-10-08 | | Release date: | 2021-10-13 | | Identifier: | N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide |
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 | | YQG | | Name: | N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide | | Formula: | C20 H16 Cl N7 O3 S | | SMILES: | O=S(=O)(Nc1ccc(c(C)c1)c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl)c1ncc[NH]1 | | InChi: | InChI=1S/C20H16ClN7O3S/c1-10-7-12(27-32(30,31)19-22-5-6-23-19)3-4-13(10)14-8-15-17(9-16(14)21)25-20(29)28-18(15)24-11(2)26-28/h3-9,27H,1-2H3,(H,22,23)(H,25,29) | | Definition date: | 2021-03-22 | | Last modified: | 2021-10-08 | | Release date: | 2021-10-13 | | Identifier: | N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide |
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 | | VKA | | Name: | 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | | Formula: | C64 H84 F3 N11 O7 S | | SMILES: | c1(c(ncs1)C)c2ccc(cc2)CNC(=O)C8N(C(=O)C(C(C)(C)C)NC(CCCCCCCCCC(NCCN7CCN(Cc6cc(c5cc(NC(C=3C=NC(=O)CC=3C(F)(F)F)=O)c(N4CCN(CC4)C)cc5)ccc6)CC7)=O)=O)CC(C8)O | | InChi: | InChI=1S/C64H84F3N11O7S/c1-43-58(86-42-71-43)46-20-18-44(19-21-46)38-70-61(84)54-36-49(79)41-78(54)62(85)59(63(2,3)4)73-56(81)17-12-10-8-6-7-9-11-16-55(80)68-24-25-75-28-30-76(31-29-75)40-45-14-13-15-47(34-45)48-22-23-53(77-32-26-74(5)27-33-77)52(35-48)72-60(83)50-39-69-57(82)37-51(50)64(65,66)67/h13-15,18-23,34-35,39,42,49,54,59,79H,6-12,16-17,24-33,36-38,40-41H2,1-5H3,(H,68,80)(H,70,84)(H,72,83)(H,73,81)/t49-,54+,59-/m1/s1 | | Synonyms: | Protac MS33 | | Definition date: | 2020-08-20 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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 | | X6M | | Name: | N-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide | | Formula: | C52 H59 F4 N9 O7 S | | SMILES: | N1(C(C)CN(CC1C)c2ccc(cc2NC(C3=CNC(=O)C=C3C(F)(F)F)=O)c4c(ccc(c4)C(NCC(NC(C(=O)N7C(C(NC(C)c5ccc(cc5)c6scnc6C)=O)CC(O)C7)C(C)(C)C)=O)=O)F)C | | InChi: | InChI=1S/C52H59F4N9O7S/c1-27-23-64(24-28(2)63(27)8)41-16-14-33(18-40(41)61-48(70)37-21-57-43(67)20-38(37)52(54,55)56)36-17-34(13-15-39(36)53)47(69)58-22-44(68)62-46(51(5,6)7)50(72)65-25-35(66)19-42(65)49(71)60-29(3)31-9-11-32(12-10-31)45-30(4)59-26-73-45/h9-18,20-21,26-29,35,42,46,66H,19,22-25H2,1-8H3,(H,57,67)(H,58,69)(H,60,71)(H,61,70)(H,62,68)/t27-,28+,29-,35+,42-,46+/m0/s1 | | Synonyms: | Protac MS67 | | Definition date: | 2020-08-20 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | N-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide |
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 | | RCK | | Name: | ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C25 H27 F N6 O S | | SMILES: | Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5ccccc5)ncc24 | | InChi: | InChI=1S/C25H27FN6OS/c26-22-9-5-4-8-20(22)16-27-23-21-17-28-32(11-10-19-6-2-1-3-7-19)24(21)30-25(29-23)34-18-31-12-14-33-15-13-31/h1-9,17H,10-16,18H2,(H,27,29,30) | | Definition date: | 2020-09-24 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | QJT | | Name: | 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one | | Formula: | C21 H32 N2 O | | SMILES: | CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 | | InChi: | InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3 | | Definition date: | 2020-06-18 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one |
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 | | BM8 | | Name: | 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline | | Formula: | C14 H12 N2 S | | SMILES: | Cc1cc(ccc1N)c2sc3ccccc3n2 | | InChi: | InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3 | | Definition date: | 2017-10-10 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline |
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 | | 8U2 | | Name: | 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide | | Formula: | C32 H37 Cl N6 O3 | | SMILES: | COc1cc(CNC(=O)Cc2cn(CCCC[CH]3C[CH]4C[CH](C3)c5c(N)c6ccc(Cl)cc6nc5C4)nn2)ccc1O | | InChi: | InChI=1S/C32H37ClN6O3/c1-42-29-14-20(5-8-28(29)40)17-35-30(41)16-24-18-39(38-37-24)9-3-2-4-19-10-21-12-22(11-19)31-27(13-21)36-26-15-23(33)6-7-25(26)32(31)34/h5-8,14-15,18-19,21-22,40H,2-4,9-13,16-17H2,1H3,(H2,34,36)(H,35,41)/t19-,21+,22-/m1/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | 8U5 | | Name: | E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide | | Formula: | C35 H46 Cl N3 O3 | | SMILES: | COc1cc(CNC(=O)CCCCCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](C)C[CH](C5)c24)ccc1O | | InChi: | InChI=1S/C35H46ClN3O3/c1-23-16-25-18-26(17-23)34-30(19-25)39-29-21-27(36)12-13-28(29)35(34)37-15-9-7-5-3-4-6-8-10-33(41)38-22-24-11-14-31(40)32(20-24)42-2/h11-14,20-21,23,25-26,40H,3-10,15-19,22H2,1-2H3,(H,37,39)(H,38,41)/t23-,25-,26+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | 8UE | | Name: | 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide | | Formula: | C34 H34 Cl N3 O3 | | SMILES: | COc1cc(CNC(=O)Cc2ccc(CNc3c4ccc(Cl)cc4nc5C[CH]6C[CH](C=C(C)C6)c35)cc2)ccc1O | | InChi: | InChI=1S/C34H34ClN3O3/c1-20-11-24-13-25(12-20)33-29(14-24)38-28-17-26(35)8-9-27(28)34(33)37-18-22-5-3-21(4-6-22)16-32(40)36-19-23-7-10-30(39)31(15-23)41-2/h3-10,12,15,17,24-25,39H,11,13-14,16,18-19H2,1-2H3,(H,36,40)(H,37,38)/t24-,25+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | 8UH | | Name: | 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide | | Formula: | C31 H36 Cl N3 O3 | | SMILES: | COc1cc(CNC(=O)CCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](CC(=C5)C)c24)ccc1O | | InChi: | InChI=1S/C31H36ClN3O3/c1-19-12-21-14-22(13-19)30-26(15-21)35-25-17-23(32)8-9-24(25)31(30)33-11-5-3-4-6-29(37)34-18-20-7-10-27(36)28(16-20)38-2/h7-10,12,16-17,21-22,36H,3-6,11,13-15,18H2,1-2H3,(H,33,35)(H,34,37)/t21-,22+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | 8UK | | Name: | 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide | | Formula: | C32 H38 Cl N3 O3 | | SMILES: | COc1cc(CNC(=O)CCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](CC(=C5)C)c24)ccc1O | | InChi: | InChI=1S/C32H38ClN3O3/c1-20-13-22-15-23(14-20)31-27(16-22)36-26-18-24(33)9-10-25(26)32(31)34-12-6-4-3-5-7-30(38)35-19-21-8-11-28(37)29(17-21)39-2/h8-11,13,17-18,22-23,37H,3-7,12,14-16,19H2,1-2H3,(H,34,36)(H,35,38)/t22-,23+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | 8UQ | | Name: | 8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide | | Formula: | C33 H42 Cl N3 O3 | | SMILES: | COc1cc(CNC(=O)CCCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](C)C[CH](C5)c24)ccc1O | | InChi: | InChI=1S/C33H42ClN3O3/c1-21-14-23-16-24(15-21)32-28(17-23)37-27-19-25(34)10-11-26(27)33(32)35-13-7-5-3-4-6-8-31(39)36-20-22-9-12-29(38)30(18-22)40-2/h9-12,18-19,21,23-24,38H,3-8,13-17,20H2,1-2H3,(H,35,37)(H,36,39)/t21-,23-,24+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | YW1 | | Name: | 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | | Formula: | C29 H32 N4 O4 | | SMILES: | Cc1noc(C)c1c1cc(C(N)=O)c2c(c1)c1ccc(cc1n2CC1CC1)C(=O)N1CC(C)OC(C)C1 | | InChi: | InChI=1S/C29H32N4O4/c1-15-12-32(13-16(2)36-15)29(35)20-7-8-22-23-9-21(26-17(3)31-37-18(26)4)10-24(28(30)34)27(23)33(25(22)11-20)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,34)/t15-,16+ | | Definition date: | 2021-04-01 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide |
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 | | ZLA | | Name: | 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid | | Formula: | C33 H35 N7 O4 | | SMILES: | O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1CC1)n1cc(nn1)CNC(=O)c1cnc2ccccc2n1)C1CC1 | | InChi: | InChI=1S/C33H35N7O4/c41-29(37-33(32(43)44)12-4-1-5-13-33)16-20-14-24(21-8-9-21)30(25(15-20)22-10-11-22)40-19-23(38-39-40)17-35-31(42)28-18-34-26-6-2-3-7-27(26)36-28/h2-3,6-7,14-15,18-19,21-22H,1,4-5,8-13,16-17H2,(H,35,42)(H,37,41)(H,43,44) | | Definition date: | 2021-05-04 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid |
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 | | ZLG | | Name: | antabactin | | Formula: | C34 H35 F N6 O4 | | SMILES: | O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1CC1)n1cc(nn1)CNC(=O)c1ccc2cc(F)ccc2n1)C1CC1 | | InChi: | InChI=1S/C34H35FN6O4/c35-24-9-11-28-23(17-24)8-10-29(37-28)32(43)36-18-25-19-41(40-39-25)31-26(21-4-5-21)14-20(15-27(31)22-6-7-22)16-30(42)38-34(33(44)45)12-2-1-3-13-34/h8-11,14-15,17,19,21-22H,1-7,12-13,16,18H2,(H,36,43)(H,38,42)(H,44,45) | | Synonyms: | 1-{2-[3,5-dicyclopropyl-4-(4-{[(6-fluoroquinoline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid | | Definition date: | 2021-05-05 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 1-{2-[3,5-dicyclopropyl-4-(4-{[(6-fluoroquinoline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid |
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 | | YNS | | Name: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide | | Formula: | C22 H28 N8 | | SMILES: | Cc1cc(cc(C)c1)Nc1cccc(n1)c1c(C)nnn1C1CCN(CC1)C(=N)N | | InChi: | InChI=1S/C22H28N8/c1-14-11-15(2)13-17(12-14)25-20-6-4-5-19(26-20)21-16(3)27-28-30(21)18-7-9-29(10-8-18)22(23)24/h4-6,11-13,18H,7-10H2,1-3H3,(H3,23,24)(H,25,26) | | Definition date: | 2021-03-15 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide |
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 | | SLW | | Name: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide | | Formula: | C25 H25 Cl N2 O2 | | SMILES: | CC[CH](NC(=O)c1ccc(Cl)cc1)[CH]2[CH]3C[CH](C[CH]23)Oc4ccnc5ccccc45 | | InChi: | InChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17-,19-,20+,21-,24+/m1/s1 | | Synonyms: | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide | | Definition date: | 2020-11-25 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide |
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