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YYQ
YYQ
表記:2-acetamido-2-deoxy-alpha-L-galactopyranose
組成式:C8 H15 N O6
SMILES:O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m0/s1
別名:N-acetyl-alpha-L-galactosamine
定義日:2012-12-17
最終更新日:2023-09-20
公開日:2020-07-29
識別子（ID）:2-(acetylamino)-2-deoxy-alpha-L-galactopyranose
7UH
7UH
表記:Doxofylline
組成式:C11 H14 N4 O4
SMILES:CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O
InChi:InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
別名:7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione
定義日:2021-10-27
最終更新日:2023-09-20
公開日:2023-02-01
識別子（ID）:7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione
IBL
IBL
表記:Azo-Combretastatin A4 (cis)
組成式:C16 H18 N2 O5
SMILES:COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2
InChi:InChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3
別名:2-methoxy-5-[(Z)-(3,4,5-trimethoxyphenyl)diazenyl]phenol
定義日:2022-03-08
最終更新日:2023-09-20
公開日:2023-02-22
識別子（ID）:2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]phenol
IE5
IE5
表記:Biliverdine IX Alpha
組成式:C33 H34 N4 O6
SMILES:Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C)C=C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C=C)C
InChi:InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-
別名:3-[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
定義日:2022-06-27
最終更新日:2023-09-20
公開日:2023-05-24
識別子（ID）:3-[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
PMW
PMW
表記: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
組成式: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
定義日:2020-04-26
最終更新日:2023-09-18
公開日:2020-05-27
識別子（ID）: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
O18
O18
表記:O-palmitoleoyl serine
組成式: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
別名:(2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid
定義日:2020-01-17
最終更新日:2023-09-18
公開日:2020-07-29
識別子（ID）:(2~{S})-2-azanyl-3-[(~{Z})-hexadec-9-enoyl]oxy-propanoic acid
WB8
WB8
表記:(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one
組成式: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-
定義日:2023-05-10
最終更新日:2023-09-18
公開日:2023-05-17
識別子（ID）:(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one
PSD
PSD
表記:5'-O-[N-(PROLYL)-SULFAMOYL]ADENOSINE
組成式: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
定義日:2001-05-16
最終更新日:2023-09-18
識別子（ID）:5'-O-[(R)-hydroxy(L-prolylamino)phosphoryl]adenosine
Q7O
Q7O
表記:(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
組成式: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
別名:Hydrolyzed Imipenem
定義日:2022-10-14
最終更新日:2023-09-18
公開日:2023-03-08
識別子（ID）:(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
VY5
VY5
表記:2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose
組成式: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
別名:N,N'-Diacetylchitobiose
定義日:2022-05-20
最終更新日:2023-09-18
公開日:2022-06-22
識別子（ID）:2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose
ON8
ON8
表記:1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine
組成式: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
定義日:2020-03-20
最終更新日:2023-09-18
公開日:2021-02-17
識別子（ID）:1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine
QHD
QHD
表記:(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
組成式: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
定義日:2019-11-04
最終更新日:2023-09-18
公開日:2019-12-25
識別子（ID）:(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
2SI
2SI
表記:2-O-SULFO-A-L-IDURONIC ACID
組成式: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
定義日:2000-04-05
最終更新日:2023-09-18
識別子（ID）:2-O-sulfo-alpha-L-idopyranuronic acid
M60
M60
表記:(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
組成式: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
別名:Cbz-GLU-VAL-azaASP-(S,S)EP-CO-NHCH2CH2Ph
定義日:2010-11-08
最終更新日:2023-09-18
識別子（ID）:(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)
E7U
E7U
表記:(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
組成式: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
定義日:2019-11-13
最終更新日:2023-09-18
公開日:2020-02-19
識別子（ID）:(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
F3O
F3O
表記:3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate)
組成式: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
定義日:2014-07-01
最終更新日:2023-09-18
公開日:2014-10-01
識別子（ID）:3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate)
I8Z
I8Z
表記:Alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate
組成式: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
別名:[(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
定義日:2022-02-25
最終更新日:2023-09-18
公開日:2022-05-25
識別子（ID）:[(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
INH
INH
表記:N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE
組成式: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
定義日:1999-07-08
最終更新日:2023-09-18
識別子（ID）:amino{[(4S)-4-{[(2S)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxo-5-(phenylamino)pentyl]amino}methaniminium
SOC
SOC
表記:DIOXYSELENOCYSTEINE
組成式: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
定義日:1999-07-08
最終更新日:2023-09-16
識別子（ID）:3-(dioxidoselanyl)-L-alanine
M88
M88
表記:1-(8Z-hexadecenoyl)-sn-glycerol
組成式: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
別名:2,3-dihydroxypropyl (Z)-hexadec-8-enoate
定義日:2018-01-03
最終更新日:2023-09-16
公開日:2021-02-03
識別子（ID）:[(2~{S})-2,3-bis(oxidanyl)propyl] (~{Z})-hexadec-8-enoate
O6L
O6L
表記:2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C20 H26 Cl2 N2 O3
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccc(Cl)cc3
InChi:InChI=1S/C20H26Cl2N2O3/c21-13-18(25)23-14-15-7-11-24(12-8-15)19(26)20(9-1-2-10-20)27-17-5-3-16(22)4-6-17/h3-6,15H,1-2,7-14H2,(H,23,25)
定義日:2022-08-30
最終更新日:2023-09-15
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide
WHQ
WHQ
表記:(4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide
組成式:C21 H18 Cl F N4 O2 S
SMILES:Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC)c2cc1COC
InChi:InChI=1S/C21H18ClFN4O2S/c1-24-21(28)19-8-14(11-30-19)27-18-7-13(10-29-2)17(6-12(18)9-25-27)26-20-15(22)4-3-5-16(20)23/h3-9,11,26H,10H2,1-2H3,(H,24,28)
定義日:2022-09-09
最終更新日:2023-09-15
公開日:2023-09-20
識別子（ID）:(4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide
XE6
XE6
表記:4-amino-1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one
組成式:C10 H16 N3 O8 P
SMILES:O=P(O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(OC)C1O
InChi:InChI=1S/C10H16N3O8P/c1-19-8-7(14)5(4-20-22(16,17)18)21-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m0/s1
定義日:2022-11-14
最終更新日:2023-09-15
公開日:2023-09-20
識別子（ID）:4-amino-1-(2-O-methyl-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one
ZI9
ZI9
表記:3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide
組成式:C16 H9 F2 N3 O2 S
SMILES:NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F
InChi:InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22)
定義日:2023-01-05
最終更新日:2023-09-15
公開日:2023-09-20
識別子（ID）:3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide
WKZ
WKZ
表記:(4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide
組成式:C27 H25 N5 O3 S
SMILES:O=C1SCCN1C(=O)CCc1ccc(c2ccc(cc2)n2ccnc2)n1c1ccc(cc1C)C(N)=O
InChi:InChI=1S/C27H25N5O3S/c1-18-16-20(26(28)34)4-9-23(18)32-22(8-11-25(33)31-14-15-36-27(31)35)7-10-24(32)19-2-5-21(6-3-19)30-13-12-29-17-30/h2-7,9-10,12-13,16-17H,8,11,14-15H2,1H3,(H2,28,34)
定義日:2022-09-22
最終更新日:2023-09-15
公開日:2023-09-20
識別子（ID）:(4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide

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件を2024-08-07に公開中

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