 | | T2U | | Name: | 2-chloro-1,3-benzoxazole | | Formula: | C7 H4 Cl N O | | SMILES: | Clc1nc2ccccc2o1 | | InChi: | InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-chloro-1,3-benzoxazole |
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 | | R4U | | Name: | ~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine | | Formula: | C11 H16 N6 | | SMILES: | Nc1nc(NC2CCCCC2)c3c[nH]nc3n1 | | InChi: | InChI=1S/C11H16N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17) | | Definition date: | 2022-11-23 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
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 | | R8F | | Name: | (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde | | Formula: | C14 H11 N5 O3 | | SMILES: | O=CC1=CO[CH]2C[CH]1C(=CN2c3ncnc4nc[nH]c34)C=O | | InChi: | InChI=1S/C14H11N5O3/c20-3-8-2-19(11-1-10(8)9(4-21)5-22-11)14-12-13(16-6-15-12)17-7-18-14/h2-7,10-11H,1H2,(H,15,16,17,18)/t10-,11+/m0/s1 | | Synonyms: | (1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde | | Definition date: | 2022-11-25 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1~{R},5~{S})-8-(7~{H}-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde |
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 | | QUF | | Name: | ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Formula: | C27 H19 F6 N7 O | | SMILES: | Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)nc(nc12)c5cccnc5 | | InChi: | InChI=1S/C27H19F6N7O/c1-14-5-6-15(25(41)36-19-10-17(26(28,29)30)9-18(11-19)27(31,32)33)8-21(14)37-23-20-13-35-40(2)24(20)39-22(38-23)16-4-3-7-34-12-16/h3-13H,1-2H3,(H,36,41)(H,37,38,39) | | Definition date: | 2022-11-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
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 | | OU3 | | Name: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one | | Formula: | C19 H19 F N2 O4 | | SMILES: | CC(C)CC1=Nc2cc(O)c(O)c(O)c2C(=O)N1c3ccc(F)c(C)c3 | | InChi: | InChI=1S/C19H19FN2O4/c1-9(2)6-15-21-13-8-14(23)17(24)18(25)16(13)19(26)22(15)11-4-5-12(20)10(3)7-11/h4-5,7-9,23-25H,6H2,1-3H3 | | Definition date: | 2023-02-10 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one |
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 | | QWF | | Name: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid | | Formula: | C47 H71 N9 O16 | | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](CC=Cc1ccccc1)NC(=O)[CH]2CC[CH](CC2)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(O)=O)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C47H71N9O16/c57-38(28-53-19-21-54(29-40(60)61)23-25-56(31-42(64)65)26-24-55(22-20-53)30-41(62)63)49-27-33-12-14-34(15-13-33)43(66)50-35(11-6-9-32-7-2-1-3-8-32)44(67)48-18-5-4-10-36(45(68)69)51-47(72)52-37(46(70)71)16-17-39(58)59/h1-3,6-9,33-37H,4-5,10-31H2,(H,48,67)(H,49,57)(H,50,66)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H2,51,52,72)/b9-6+/t33-,34-,35-,36-,37-/m0/s1 | | Definition date: | 2022-11-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid |
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 | | QYF | | Name: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid | | Formula: | C49 H69 N9 O16 | | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)[CH]3CC[CH](CC3)CNC(=O)CN4CCN(CCN(CCN(CC(O)=O)C=C4)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C49H69N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,17,19,25,32,35,37-39H,3-4,7-9,12-16,18,20-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/b19-17-/t32-,35-,37-,38-,39-/m0/s1 | | Definition date: | 2022-11-16 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid |
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 | | KXL | | Name: | (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide | | Formula: | C22 H28 N4 O4 | | SMILES: | CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(=O)NCCc2ccccn2 | | InChi: | InChI=1S/C22H28N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18-19,27H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1 | | Definition date: | 2022-06-07 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-~{N}'-(2-pyridin-2-ylethyl)butanediamide |
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 | | 9MF | | Name: | methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate | | Formula: | C20 H21 F N2 O2 | | SMILES: | COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2 | | InChi: | InChI=1S/C20H21FN2O2/c1-5-10-23(13-16-6-8-17(21)9-7-16)18-11-14(2)19(15(3)12-18)22-20(24)25-4/h1,6-9,11-12H,10,13H2,2-4H3,(H,22,24) | | Synonyms: | HN37 | | Definition date: | 2023-04-12 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | methyl ~{N}-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate |
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 | | 43I | | Name: | 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide | | Formula: | C23 H31 Cl2 N7 O | | SMILES: | CC[CH]1CN(CCN1C2CCN(CC2)Cc3ccc(Cl)cc3)c4nc(N)c(nc4Cl)C(N)=O | | InChi: | InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1 | | Definition date: | 2023-01-04 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 3-azanyl-6-chloranyl-5-[(3~{S})-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide |
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 | | 4AI | | Name: | (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide | | Formula: | | | SMILES: | NC(=N)NCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC4CCCCC4 | | InChi: | InChI=1S/C33H44N6O4/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36)/t27-,28-/m0/s1 | | Synonyms: | PS372424 | | Definition date: | 2023-01-05 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3~{S})-~{N}-[(2~{S})-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide |
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 | | EMX | | Name: | 4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid | | Formula: | C20 H18 O8 | | SMILES: | OC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccc(cc2)C(O)=O | | InChi: | InChI=1S/C20H18O8/c21-17(22)13-3-7-15(8-4-13)19(25)27-11-1-2-12-28-20(26)16-9-5-14(6-10-16)18(23)24/h3-10H,1-2,11-12H2,(H,21,22)(H,23,24) | | Synonyms: | 4,4'-((Butane-1,4-diylbis(oxy))bis(carbonyl))dibenzoic acid | | Definition date: | 2023-06-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid |
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 | | FI6 | | Name: | N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide | | Formula: | C32 H28 F3 N5 O4 | | SMILES: | CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5 | | InChi: | InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1 | | Synonyms: | (+/-)-AMG 487 | | Definition date: | 2023-07-20 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide |
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 | | E7J | | Name: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid | | Formula: | C12 H14 O5 | | SMILES: | OCCCCOC(=O)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15) | | Definition date: | 2023-06-14 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid |
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 | | 4IE | | Name: | [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium | | Formula: | C25 H31 Br N | | SMILES: | CC1(C)[CH]2CC=C(C[N+](C)(C)Cc3ccc(cc3)c4ccccc4Br)[CH]1C2 | | InChi: | InChI=1S/C25H31BrN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1 | | Synonyms: | VUF11222 | | Definition date: | 2023-01-05 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-(2-bromophenyl)phenyl]methyl-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium |
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 | | K1L | | Name: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one | | Formula: | C21 H24 F N9 O11 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)N=CNc67 | | InChi: | InChI=1S/C21H24FN9O11P2/c22-11-16-10(40-21(11)31-7-28-12-17(23)24-4-25-18(12)31)3-39-44(36,37)41-15-8(2-38-43(34,35)42-16)1-9(14(15)32)30-6-29-13-19(30)26-5-27-20(13)33/h4-11,14-16,21,32H,1-3H2,(H,34,35)(H,36,37)(H2,23,24,25)(H,26,27,33)/t8-,9-,10-,11-,14+,15-,16-,21-/m1/s1 | | Definition date: | 2022-05-16 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one |
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 | | VZF | | Name: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one | | Formula: | C20 H28 N6 O4 | | SMILES: | COc1ccc(CNc2nc(nc3N(C(C)C)C(=O)Nc23)N(CCO)CCO)cc1 | | InChi: | InChI=1S/C20H28N6O4/c1-13(2)26-18-16(22-20(26)29)17(21-12-14-4-6-15(30-3)7-5-14)23-19(24-18)25(8-10-27)9-11-28/h4-7,13,27-28H,8-12H2,1-3H3,(H,22,29)(H,21,23,24) | | Definition date: | 2023-09-06 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one |
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 | | XUZ | | Name: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide | | Formula: | C29 H14 Cl F5 N6 O2 | | SMILES: | FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c3cc(F)ccc3Cl)c21)c1ccc2ncnn2c1C#N | | InChi: | InChI=1S/C29H14ClF5N6O2/c30-21-3-1-16(31)10-19(21)26-25-20(28(43)40-26)7-13(18-2-4-24-37-12-38-41(24)23(18)11-36)8-22(25)39-27(42)14-5-15(29(33,34)35)9-17(32)6-14/h1-10,12,26H,(H,39,42)(H,40,43)/t26-/m0/s1 | | Synonyms: | RLY-2608 | | Definition date: | 2023-11-13 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide |
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 | | TIJ | | Name: | 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one | | Formula: | C24 H17 N O4 | | SMILES: | Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cn(Cc4ccccc4)c5ccccc35 | | InChi: | InChI=1S/C24H17NO4/c26-16-10-20(27)24-21(28)12-22(29-23(24)11-16)18-14-25(13-15-6-2-1-3-7-15)19-9-5-4-8-17(18)19/h1-12,14,26-27H,13H2 | | Definition date: | 2023-01-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one |
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 | | XE3 | | Name: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide | | Formula: | C17 H19 F3 N4 O5 S | | SMILES: | Cc1ccc(cc1Nc2occ(n2)C(=O)N[S](=O)(=O)N3CCCOCC3)C(F)(F)F | | InChi: | InChI=1S/C17H19F3N4O5S/c1-11-3-4-12(17(18,19)20)9-13(11)21-16-22-14(10-29-16)15(25)23-30(26,27)24-5-2-7-28-8-6-24/h3-4,9-10H,2,5-8H2,1H3,(H,21,22)(H,23,25) | | Definition date: | 2023-10-31 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide |
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 | | WJC | | Name: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid | | Formula: | C21 H19 N O3 | | SMILES: | Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(c1)C(O)=O | | InChi: | InChI=1S/C21H19NO3/c1-15-10-11-20(19(12-15)21(23)24)22-17-8-5-9-18(13-17)25-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,23,24) | | Definition date: | 2023-05-15 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid |
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 | | ZJ9 | | Name: | ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide | | Formula: | C22 H21 N3 O4 | | SMILES: | CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[CH]3CCc4ccccc34 | | InChi: | InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1 | | Definition date: | 2023-06-26 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide |
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 | | NF0 | | Name: | butyl 3,4,5-tris(oxidanyl)benzoate | | Formula: | C11 H14 O5 | | SMILES: | CCCCOC(=O)c1cc(O)c(O)c(O)c1 | | InChi: | InChI=1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3 | | Synonyms: | butyl gallate | | Definition date: | 2023-01-13 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | butyl 3,4,5-tris(oxidanyl)benzoate |
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 | | ZJF | | Name: | ~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide | | Formula: | C15 H17 N3 O2 | | SMILES: | Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3 | | InChi: | InChI=1S/C15H17N3O2/c19-13-7-3-6-12(8-13)18-9-14(16-10-18)15(20)17-11-4-1-2-5-11/h3,6-11,19H,1-2,4-5H2,(H,17,20) | | Definition date: | 2023-06-26 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | ~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide |
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 | | T5U | | Name: | (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine | | Formula: | C13 H18 N2 O | | SMILES: | CC[CH](C[CH]1COC(=N)N1)c2ccccc2 | | InChi: | InChI=1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1 | | Synonyms: | RO5256390 | | Definition date: | 2023-09-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | (4~{S})-4-[(2~{S})-2-phenylbutyl]-1,3-oxazolidin-2-imine |
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