| WB8 | Name: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one | Formula: | C21 H22 N4 O S | SMILES: | O=C1NC(=NC1=Cc2ccc3ncsc3c2)NC45CC6CC(CC(C6)C4)C5 | InChi: | InChI=1S/C21H22N4OS/c26-19-17(6-12-1-2-16-18(7-12)27-11-22-16)23-20(24-19)25-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,11,13-15H,3-5,8-10H2,(H2,23,24,25,26)/b17-6-/t13-,14+,15-,21- | Definition date: | 2023-05-10 | Last modified: | 2023-09-18 | Release date: | 2023-05-17 | Identifier: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one |
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| VY5 | Name: | 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose | Formula: | C16 H28 N2 O11 | SMILES: | CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(CO)OC1O | InChi: | InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15+,16+/m1/s1 | Synonyms: | N,N'-Diacetylchitobiose | Definition date: | 2022-05-20 | Last modified: | 2023-09-18 | Release date: | 2022-06-22 | Identifier: | 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose |
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| 2SI | Name: | 2-O-SULFO-A-L-IDURONIC ACID | Formula: | C6 H10 O10 S | SMILES: | O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O | InChi: | InChI=1/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1/f/h9,12H | Definition date: | 2000-04-05 | Last modified: | 2023-09-18 | Identifier: | 2-O-sulfo-alpha-L-idopyranuronic acid |
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| M60 | Name: | (4S)-5-[[(2S)-1-[2-(carboxymethyl)-2-[(3S)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid | Formula: | C32 H41 N5 O11 | SMILES: | O=C(NCCc1ccccc1)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CCC(=O)O)C(C)C)CC(=O)O | InChi: | InChI=1S/C32H41N5O11/c1-20(2)28(35-29(44)23(13-14-26(40)41)34-32(47)48-19-22-11-7-4-8-12-22)31(46)36-37(18-27(42)43)25(39)17-24(38)30(45)33-16-15-21-9-5-3-6-10-21/h3-12,20,23-24,28,38H,13-19H2,1-2H3,(H,33,45)(H,34,47)(H,35,44)(H,36,46)(H,40,41)(H,42,43)/t23-,24-,28-/m0/s1 | Synonyms: | Cbz-GLU-VAL-azaASP-(S,S)EP-CO-NHCH2CH2Ph | Definition date: | 2010-11-08 | Last modified: | 2023-09-18 | Identifier: | (5S,8S)-5-(2-carboxyethyl)-11-{(3S)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}-3,6,9-trioxo-1-phenyl-8-(propan-2-yl)-2-oxa-4,7,10,11-tetraazatridecan-13-oic acid (non-preferred name) |
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| O18 | Name: | O-palmitoleoyl serine | Formula: | C19 H35 N O4 | SMILES: | CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O | InChi: | InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h7-8,17H,2-6,9-16,20H2,1H3,(H,22,23)/b8-7-/t17-/m0/s1 | Synonyms: | (2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid | Definition date: | 2020-01-17 | Last modified: | 2023-09-18 | Release date: | 2020-07-29 | Identifier: | (2~{S})-2-azanyl-3-[(~{Z})-hexadec-9-enoyl]oxy-propanoic acid |
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| ON8 | Name: | 1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine | Formula: | C5 H12 N4 O2 | SMILES: | N[CH](CCONC(N)=N)C=O | InChi: | InChI=1S/C5H12N4O2/c6-4(3-10)1-2-11-9-5(7)8/h3-4H,1-2,6H2,(H4,7,8,9)/t4-/m0/s1 | Definition date: | 2020-03-20 | Last modified: | 2023-09-18 | Release date: | 2021-02-17 | Identifier: | 1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine |
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| PMW | Name: | methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate | Formula: | C22 H23 Cl N4 O2 S | SMILES: | CC[CH]([CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)OC | InChi: | InChI=1S/C22H23ClN4O2S/c1-6-16(22(28)29-5)19-20-26-25-13(4)27(20)21-17(11(2)12(3)30-21)18(24-19)14-7-9-15(23)10-8-14/h7-10,16,19H,6H2,1-5H3/t16-,19+/m1/s1 | Definition date: | 2020-04-26 | Last modified: | 2023-09-18 | Release date: | 2020-05-27 | Identifier: | methyl (2~{R})-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate |
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| PSD | Name: | 5'-O-[N-(PROLYL)-SULFAMOYL]ADENOSINE | Formula: | C15 H22 N7 O7 P | SMILES: | O=C(NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C4NCCC4 | InChi: | InChI=1S/C15H22N7O7P/c16-12-9-13(19-5-18-12)22(6-20-9)15-11(24)10(23)8(29-15)4-28-30(26,27)21-14(25)7-2-1-3-17-7/h5-8,10-11,15,17,23-24H,1-4H2,(H2,16,18,19)(H2,21,25,26,27)/t7-,8+,10+,11+,15+/m0/s1 | Definition date: | 2001-05-16 | Last modified: | 2023-09-18 | Identifier: | 5'-O-[(R)-hydroxy(L-prolylamino)phosphoryl]adenosine |
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| Q7O | Name: | (2R,4R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid | Formula: | C12 H19 N3 O5 S | SMILES: | C[CH](O)[CH]([CH]1C[CH](SCCNC=N)C(=N1)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-9,16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,8-,9-/m1/s1 | Synonyms: | Hydrolyzed Imipenem | Definition date: | 2022-10-14 | Last modified: | 2023-09-18 | Release date: | 2023-03-08 | Identifier: | (2~{R},4~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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| QHD | Name: | (2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid | Formula: | C27 H45 N7 O26 P4 S | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS[C](O)(C[C](O)(CC(O)=O)C(O)=O)O[P](O)(O)=O | InChi: | InChI=1S/C27H45N7O26P4S/c1-25(2,19(39)22(40)30-4-3-14(35)29-5-6-65-27(44,59-62(48,49)50)9-26(43,24(41)42)7-15(36)37)10-56-64(53,54)60-63(51,52)55-8-13-18(58-61(45,46)47)17(38)23(57-13)34-12-33-16-20(28)31-11-32-21(16)34/h11-13,17-19,23,38-39,43-44H,3-10H2,1-2H3,(H,29,35)(H,30,40)(H,36,37)(H,41,42)(H,51,52)(H,53,54)(H2,28,31,32)(H2,45,46,47)(H2,48,49,50)/t13-,17+,18+,19+,23+,26-,27-/m1/s1 | Definition date: | 2019-11-04 | Last modified: | 2023-09-18 | Release date: | 2019-12-25 | Identifier: | (2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid |
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| E7U | Name: | (1S,2R,3R,4R,5'S,6S,7S,8S,9R,12R,13R,15S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol | Formula: | C27 H44 O5 | SMILES: | C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C | InChi: | InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19-,20-,21+,22-,23+,24+,25-,26+,27-/m0/s1 | Definition date: | 2019-11-13 | Last modified: | 2023-09-18 | Release date: | 2020-02-19 | Identifier: | (1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{S},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol |
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| F3O | Name: | 3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate) | Formula: | C19 H23 N6 O8 P | SMILES: | O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4OC(=O)C(N)Cc3ccccc3 | InChi: | InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(27)33-15-12(7-31-34(28,29)30)32-18(14(15)26)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26H,6-7,20H2,(H2,21,22,23)(H2,28,29,30)/t11-,12+,14+,15+,18+/m0/s1 | Definition date: | 2014-07-01 | Last modified: | 2023-09-18 | Release date: | 2014-10-01 | Identifier: | 3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate) |
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| I8Z | Name: | Alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate | Formula: | C5 H10 O10 P2 | SMILES: | O[CH]1[CH](CO[P](O)(O)=O)O[CH]2O[P](O)(=O)O[CH]12 | InChi: | InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1 | Synonyms: | [(5~{R},6~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate | Definition date: | 2022-02-25 | Last modified: | 2023-09-18 | Release date: | 2022-05-25 | Identifier: | [(3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate |
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| INH | Name: | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE | Formula: | C25 H35 N6 O4 | SMILES: | O=C(Nc1ccccc1)C(NC(=O)C(NC(C(=O)O)C)CCc2ccccc2)CCCNC(=[NH2+])N | 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: | 1999-07-08 | Last modified: | 2023-09-18 | Identifier: | amino{[(4S)-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxo-5-(phenylamino)pentyl]amino}methaniminium |
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| M88 | Name: | 1-(8Z-hexadecenoyl)-sn-glycerol | Formula: | C19 H36 O4 | SMILES: | CCCCCCCC=CCCCCCCC(=O)OC[CH](O)CO | InChi: | InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h8-9,18,20-21H,2-7,10-17H2,1H3/b9-8-/t18-/m0/s1 | Synonyms: | 2,3-dihydroxypropyl (Z)-hexadec-8-enoate | Definition date: | 2018-01-03 | Last modified: | 2023-09-16 | Release date: | 2021-02-03 | Identifier: | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{Z})-hexadec-8-enoate |
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| SOC | Name: | DIOXYSELENOCYSTEINE | Formula: | C3 H7 N O4 Se | SMILES: | O=C(O)C(N)C[SeH](=O)=O | InChi: | InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)/t2-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-09-16 | Identifier: | 3-(dioxidoselanyl)-L-alanine |
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| X7C | Name: | 5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine | Formula: | C12 H5 Cl F2 N2 S | SMILES: | Fc1cccc(F)c1c2nc3ncsc3cc2Cl | InChi: | InChI=1S/C12H5ClF2N2S/c13-6-4-9-12(16-5-18-9)17-11(6)10-7(14)2-1-3-8(10)15/h1-5H | Definition date: | 2023-06-05 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine |
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| YNL | Name: | (5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | Formula: | C17 H15 Cl F N3 O | SMILES: | Fc1ccccc1C1=NCC(=O)N(CCN)c2ccc(Cl)cc21 | InChi: | InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2 | Definition date: | 2023-02-13 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one |
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| ZR2 | Name: | 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose | Formula: | C78 H152 O9 | SMILES: | OC1C(O)C(COC(=O)C(CCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCC)OC(O)C1O | InChi: | InChI=1S/C78H152O9/c1-5-7-9-11-13-15-17-24-32-38-44-50-56-62-70(77(83)86-66-73-74(80)75(81)76(82)78(84)87-73)71(79)63-57-51-45-39-33-27-21-19-20-25-30-36-42-48-54-60-68-65-69(68)61-55-49-43-37-31-26-22-23-28-34-40-46-52-58-64-72(85-4)67(3)59-53-47-41-35-29-18-16-14-12-10-8-6-2/h67-76,78-82,84H,5-66H2,1-4H3/t67-,68-,69+,70-,71-,72-,73+,74-,75-,76+,78-/m1/s1 | Definition date: | 2023-03-22 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose |
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| Y7C | Name: | 3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide | Formula: | C11 H12 Cl N5 O | SMILES: | CCCn1nnnc1NC(=O)c1cccc(Cl)c1 | InChi: | InChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18) | Definition date: | 2023-01-09 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide |
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| VW0 | Name: | (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid | Formula: | C11 H20 N O11 P | SMILES: | C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O | InChi: | InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11+/m1/s1 | Definition date: | 2023-04-12 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid |
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| KHF | Name: | PCO-371 | Formula: | C29 H32 F3 N5 O6 S | SMILES: | Cc1cc(cc(C)c1CC[S](=O)(=O)N2CCC3(CC2)N=C(NC3=O)c4ccc(OC(F)(F)F)cc4)N5C(=O)NC(=O)C5(C)C | InChi: | InChI=1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40) | Synonyms: | 1-[3,5-dimethyl-4-[2-[[4-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-dimethyl-imidazolidine-2,4-dione | Definition date: | 2022-09-21 | Last modified: | 2023-09-15 | Release date: | 2023-06-14 | Identifier: | 1-[3,5-dimethyl-4-[2-[[4-oxidanylidene-2-[4-(trifluoromethyloxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-dimethyl-imidazolidine-2,4-dione |
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| J8I | Name: | ~{N}-phenyl-~{N}-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide | Formula: | C22 H29 N3 O3 S | SMILES: | CCC(=O)N(C1CCN(CC1)CCc2ccc(cc2)[S](N)(=O)=O)c3ccccc3 | InChi: | InChI=1S/C22H29N3O3S/c1-2-22(26)25(19-6-4-3-5-7-19)20-13-16-24(17-14-20)15-12-18-8-10-21(11-9-18)29(23,27)28/h3-11,20H,2,12-17H2,1H3,(H2,23,27,28) | Definition date: | 2023-08-07 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | ~{N}-phenyl-~{N}-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide |
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| KI0 | Name: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[(1S)-1-phenylethyl]quinazoline-2,4-dione | Formula: | C25 H24 N2 O5 | SMILES: | C[CH](N1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O)c4ccccc4 | InChi: | InChI=1S/C25H24N2O5/c1-14-17(23(30)22-19(28)10-7-11-20(22)29)12-13-18-21(14)24(31)27(25(32)26(18)3)15(2)16-8-5-4-6-9-16/h4-6,8-9,12-13,15,28H,7,10-11H2,1-3H3/t15-/m0/s1 | Definition date: | 2022-09-21 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[(1~{S})-1-phenylethyl]quinazoline-2,4-dione |
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| WEU | Name: | 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide | Formula: | C11 H14 Cl N3 O2 | SMILES: | CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1 | InChi: | InChI=1S/C11H14ClN3O2/c1-8(16)13-14-11(17)7-15(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17) | Definition date: | 2022-09-06 | Last modified: | 2023-09-15 | Release date: | 2023-09-20 | Identifier: | N'-acetyl-2-[(4-chlorophenyl)(methyl)amino]acetohydrazide (non-preferred name) |
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