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UH2
UH2
表記:(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
組成式:C24 H25 N7 O5 S
SMILES:N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#Cc3[nH]c4ccccc4n3)c5c(N)ncnc25)C(O)=O
InChi:InChI=1S/C24H25N7O5S/c25-13(24(34)35)7-8-37-10-16-19(32)20(33)23(36-16)31-9-12(18-21(26)27-11-28-22(18)31)5-6-17-29-14-3-1-2-4-15(14)30-17/h1-4,9,11,13,16,19-20,23,32-33H,7-8,10,25H2,(H,29,30)(H,34,35)(H2,26,27,28)/t13-,16+,19+,20+,23+/m0/s1
定義日:2023-02-03
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
OHF
OHF
表記:2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde
組成式:C20 H22 N2 O6
SMILES:O=C(N1CCOCC1COc1cccc(O)c1C=O)c1cccnc1CCO
InChi:InChI=1S/C20H22N2O6/c23-9-6-17-15(3-2-7-21-17)20(26)22-8-10-27-12-14(22)13-28-19-5-1-4-18(25)16(19)11-24/h1-5,7,11,14,23,25H,6,8-10,12-13H2/t14-/m0/s1
定義日:2022-05-02
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde
Z1T
Z1T
表記:N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide
組成式:C42 H83 N O3
SMILES:O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1
定義日:2012-12-18
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide
XGZ
XGZ
表記:Mycothiol
組成式:C17 H30 N2 O12 S
SMILES:CC(=O)NC(CS)C(=O)NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1
別名:(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside
定義日:2022-11-16
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside
XXF
XXF
表記:(3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
組成式:C22 H23 Cl N6 O
SMILES:N#Cc1cccc(c1)c1c2c([NH]c1Cl)ncnc2N1CC2(CCN(C)CC2)OCC1
InChi:InChI=1S/C22H23ClN6O/c1-28-7-5-22(6-8-28)13-29(9-10-30-22)21-18-17(16-4-2-3-15(11-16)12-24)19(23)27-20(18)25-14-26-21/h2-4,11,14H,5-10,13H2,1H3,(H,25,26,27)
定義日:2022-12-14
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
ZB9
ZB9
表記:2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one
組成式:C20 H22 Cl2 N6 O
SMILES:O=C(CNc1cc(Cl)cc(Cl)c1)N1CCCC(C1)N(C)c1ncnc2[NH]ccc21
InChi:InChI=1S/C20H22Cl2N6O/c1-27(20-17-4-5-23-19(17)25-12-26-20)16-3-2-6-28(11-16)18(29)10-24-15-8-13(21)7-14(22)9-15/h4-5,7-9,12,16,24H,2-3,6,10-11H2,1H3,(H,23,25,26)/t16-/m1/s1
定義日:2023-03-08
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one
YRW
YRW
表記:3-aminopyridine-4-carboxamide
組成式:C6 H7 N3 O
SMILES:O=C(N)c1ccncc1N
InChi:InChI=1S/C6H7N3O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,7H2,(H2,8,10)
定義日:2023-02-17
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:3-aminopyridine-4-carboxamide
Y1O
Y1O
表記:methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
組成式:C22 H25 Cl F N7 O4
SMILES:Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OC)CNC
InChi:InChI=1S/C22H25ClFN7O4/c1-27-9-11-3-5-13-16(7-11)31(22(34)35-2)17(10-28-21(25)26)18(13)30-20(33)19(32)29-12-4-6-14(23)15(24)8-12/h3-8,17-18,27H,9-10H2,1-2H3,(H,29,32)(H,30,33)(H4,25,26,28)/t17-,18+/m1/s1
定義日:2022-12-27
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
Y1T
Y1T
表記:(pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
組成式:C28 H24 Cl F6 N7 O4
SMILES:Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCc1c(F)c(F)c(F)c(F)c1F)CNC
InChi:InChI=1S/C28H24ClF6N7O4/c1-38-8-11-2-4-13-17(6-11)42(28(45)46-10-14-19(31)21(33)23(35)22(34)20(14)32)18(9-39-27(36)37)24(13)41-26(44)25(43)40-12-3-5-15(29)16(30)7-12/h2-7,18,24,38H,8-10H2,1H3,(H,40,43)(H,41,44)(H4,36,37,39)/t18-,24+/m1/s1
定義日:2022-12-27
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
Y1X
Y1X
表記:ethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
組成式:C23 H27 Cl F N7 O4
SMILES:Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCC)CNC
InChi:InChI=1S/C23H27ClFN7O4/c1-3-36-23(35)32-17-8-12(10-28-2)4-6-14(17)19(18(32)11-29-22(26)27)31-21(34)20(33)30-13-5-7-15(24)16(25)9-13/h4-9,18-19,28H,3,10-11H2,1-2H3,(H,30,33)(H,31,34)(H4,26,27,29)/t18-,19+/m1/s1
定義日:2022-12-27
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:ethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
WUF
WUF
表記:benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron
組成式:C41 H39 Fe N4 O4
SMILES:O=C(O)CCC1=C(C)C2=CC=3C(C=C)=C(C)C4=Cc5c(C=C)c(C)c6C=C7C(C)=C(CCC(=O)O)C=8C=C1N2[Fe](Cc1ccccc1)(n65)(N4=3)N7=8
InChi:InChI=1S/C34H34N4O4.C7H7.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:2022-10-19
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron
Y26
Y26
表記:propyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
組成式:C24 H29 Cl F N7 O4
SMILES:Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCCC)CNC
InChi:InChI=1S/C24H29ClFN7O4/c1-3-8-37-24(36)33-18-9-13(11-29-2)4-6-15(18)20(19(33)12-30-23(27)28)32-22(35)21(34)31-14-5-7-16(25)17(26)10-14/h4-7,9-10,19-20,29H,3,8,11-12H2,1-2H3,(H,31,34)(H,32,35)(H4,27,28,30)/t19-,20+/m1/s1
定義日:2022-12-27
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:propyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
Y2E
Y2E
表記:3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
組成式:C24 H26 Cl F4 N7 O4
SMILES:Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCCC(F)(F)F)CNC
InChi:InChI=1S/C24H26ClF4N7O4/c1-32-10-12-2-4-14-17(8-12)36(23(39)40-7-6-24(27,28)29)18(11-33-22(30)31)19(14)35-21(38)20(37)34-13-3-5-15(25)16(26)9-13/h2-5,8-9,18-19,32H,6-7,10-11H2,1H3,(H,34,37)(H,35,38)(H4,30,31,33)/t18-,19+/m1/s1
定義日:2022-12-27
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
UEM
UEM
表記:(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
組成式:C27 H27 N5 O5 S
SMILES:N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(C#Cc3cccc4ccccc34)c5c(N)ncnc25)C(O)=O
InChi:InChI=1S/C27H27N5O5S/c28-19(27(35)36)10-11-38-13-20-22(33)23(34)26(37-20)32-12-17(21-24(29)30-14-31-25(21)32)9-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,12,14,19-20,22-23,26,33-34H,10-11,13,28H2,(H,35,36)(H2,29,30,31)/t19-,20+,22+,23+,26+/m0/s1
定義日:2023-02-02
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
N6I
N6I
表記:(3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one
組成式:C25 H26 Cl N5 O3
SMILES:Clc1cccc(c1)C(O)CNC=1C=CNC(=O)C=1c1nc2c(cc(cc2C)N2CCOCC2)[NH]1
InChi:InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
定義日:2022-03-24
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one
OW6
OW6
表記:6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
組成式:C29 H23 Cl N2 O6
SMILES:O=C(OC)C(Cc1ccc(O)cc1)NC(=O)c1cc(c2cc(ccc2n1)/C=C/c1ccc(Cl)cc1)C(=O)O
InChi:InChI=1S/C29H23ClN2O6/c1-38-29(37)26(15-19-6-11-21(33)12-7-19)32-27(34)25-16-23(28(35)36)22-14-18(8-13-24(22)31-25)3-2-17-4-9-20(30)10-5-17/h2-14,16,26,33H,15H2,1H3,(H,32,34)(H,35,36)/b3-2+/t26-/m1/s1
定義日:2022-05-18
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
NDK
NDK
表記:6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
組成式:C19 H21 F N6 O
SMILES:O=C(Cc1cc(F)c(nc1)C(C)C)N1CCN(CC1)c1ccc(C#N)nn1
InChi:InChI=1S/C19H21FN6O/c1-13(2)19-16(20)9-14(12-22-19)10-18(27)26-7-5-25(6-8-26)17-4-3-15(11-21)23-24-17/h3-4,9,12-13H,5-8,10H2,1-2H3
定義日:2022-04-01
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
8X9
8X9
表記:2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
組成式:C12 H19 N O2
SMILES:CCC1=C[CH]2[CH](C1)C[C]2(CN)CC(O)=O
InChi:InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1
別名:Mirogabalin
定義日:2021-12-28
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:2-[(1~{R},5~{S},6~{S})-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanoic acid
80N
80N
表記: (1R,2E,6E,9E)-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol
組成式:C15 H24 O
SMILES:CC1=CC[CH](O)C(=CCC(C)(C)C=CC1)C
InChi:InChI=1S/C15H24O/c1-12-6-5-10-15(3,4)11-9-13(2)14(16)8-7-12/h5,7,9-10,14,16H,6,8,11H2,1-4H3/b10-5+,12-7+,13-9+/t14-/m1/s1
定義日:2022-03-02
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(1~{R},2~{E},6~{E},9~{E})-2,5,5,9-tetramethylcycloundeca-2,6,9-trien-1-ol
80W
80W
表記:6-methyl-7-methylidene-3-oxidanyl-cyclohepta-2,5-diene-1,4-dione
組成式:C9 H8 O3
SMILES:CC1=CC(=O)C(=CC(=O)C1=C)O
InChi:InChI=1S/C9H8O3/c1-5-3-8(11)9(12)4-7(10)6(5)2/h3-4,12H,2H2,1H3
定義日:2022-03-02
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:6-methyl-7-methylidene-3-oxidanyl-cyclohepta-2,5-diene-1,4-dione
813
813
表記:(1~{S},3~{R},11~{R},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-4,7,9,14,18-pentaen-6-one
組成式:C24 H32 O4
SMILES:CC1=CCC(C)(C)C=CC[C]2(C)OC3=C(C[CH]2C[CH]1O)C(=CC(=O)C(=C3)O)C
InChi:InChI=1S/C24H32O4/c1-15-7-10-23(3,4)8-6-9-24(5)17(13-19(15)25)12-18-16(2)11-20(26)21(27)14-22(18)28-24/h6-8,11,14,17,19,25H,9-10,12-13H2,1-5H3,(H,26,27)/b8-6+,15-7-/t17-,19-,24-/m0/s1
定義日:2022-03-02
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(1~{S},11~{S},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-3(9),4,7,14,18-pentaen-6-one
9YX
9YX
表記:(2~{S},4~{S})-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid
組成式:C11 H15 N2 O7 P S
SMILES:Cc1ncc(CO[P](O)(O)=O)c([CH]2N[CH](CS2)C(O)=O)c1O
InChi:InChI=1S/C11H15N2O7PS/c1-5-9(14)8(10-13-7(4-22-10)11(15)16)6(2-12-5)3-20-21(17,18)19/h2,7,10,13-14H,3-4H2,1H3,(H,15,16)(H2,17,18,19)/t7-,10+/m1/s1
定義日:2022-04-17
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(2~{S},4~{S})-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid
9ZN
9ZN
表記:(2~{R})-3-methyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-butanoic acid
組成式:C13 H19 N2 O7 P S
SMILES:Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C(O)=O)C(C)(C)S)c1O
InChi:InChI=1S/C13H19N2O7PS/c1-7-10(16)9(5-15-11(12(17)18)13(2,3)24)8(4-14-7)6-22-23(19,20)21/h4-5,11,16,24H,6H2,1-3H3,(H,17,18)(H2,19,20,21)/b15-5+/t11-/m1/s1
定義日:2022-04-05
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:(2~{R})-3-methyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-butanoic acid
E45
E45
表記:3-propan-2-yl-1,2,4-thiadiazol-5-amine
組成式:C5 H9 N3 S
SMILES:CC(C)c1nsc(N)n1
InChi:InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8)
定義日:2022-01-03
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:3-propan-2-yl-1,2,4-thiadiazol-5-amine
HFI
HFI
表記:1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol
組成式:C12 H10 N2 O
SMILES:Cc1nccc2c1[nH]c3cc(O)ccc23
InChi:InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3
別名:harmol
定義日:2022-05-25
最終更新日:2023-03-31
公開日:2023-04-05
識別子（ID）:1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol

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件を2025-10-22に公開中

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