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MYF
MYF
表記:5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
組成式:C15 H10 O7
SMILES:O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O
InChi:InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
別名:2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
定義日:2006-12-22
最終更新日:2020-06-17
識別子（ID）:5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
MYI
MYI
表記:(5-methoxy-1H-indol-3-yl)acetic acid
組成式:C11 H11 N O3
SMILES:COc1ccc2[nH]cc(CC(O)=O)c2c1
InChi:InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
別名:5-methoxy-indole acetate
定義日:2010-02-08
最終更新日:2020-06-17
識別子（ID）:2-(5-methoxy-1H-indol-3-yl)ethanoic acid
7DS
7DS
表記:METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, 7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE
組成式:C28 H26 Cl N9 O4
SMILES:[C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CCC=CC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5
InChi:InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1
別名:methyl [(5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno )-1,10-benzodiazacyclotetradecin-15-yl]carbamate
定義日:2016-10-11
最終更新日:2020-06-17
公開日:2017-03-01
識別子（ID）:methyl [(5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
7DZ
7DZ
表記:(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one
組成式:C19 H23 F2 N5 O2
SMILES:CN3c1c(nc(nc1)Nc2cc(c(c(c2)F)O)F)N(CCC(C)C)C(C3=O)C
InChi:InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)/t11-/m0/s1
別名:BI-D1870
定義日:2016-10-13
最終更新日:2020-06-17
公開日:2016-11-02
識別子（ID）:(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one
7E0
7E0
表記:trichothecene
組成式:C15 H22 O2
SMILES:CC1=CC2OC3CCC(C2(CC1)C)(C34CO4)C
InChi:InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15+/m1/s1
別名:(11beta)-12,13-epoxytrichothec-9-ene
定義日:2016-10-13
最終更新日:2020-06-17
公開日:2016-11-02
識別子（ID）:(11beta)-12,13-epoxytrichothec-9-ene
MYU
MYU
表記:3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
組成式:C15 H10 O8
SMILES:O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2
InChi:InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
別名:2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE
定義日:2007-07-10
最終更新日:2020-06-17
識別子（ID）:2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one
MYX
MYX
表記:(2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E
組成式:C25 H33 N3 O3 S2
SMILES:O=C(N)C=C(OC)C(C)C(OC)/C=C/c1nc(sc1)c2nc(sc2)C(C=CC=CC(C)C)C
InChi:InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1
別名:7-[2'-(1,6-DIMETHYL-HEPTA-2,4-DIENYL)-[2,4']BITHIAZOLYL-4-YL]-3,5-DIMETHOXY-4-METHYL-HEPTA-2,6-DIENOIC ACID AMIDE
定義日:2004-03-29
最終更新日:2020-06-17
識別子（ID）:(2E,4R,5S,6E)-7-{2'-[(1S,2E,4E)-1,6-dimethylhepta-2,4-dien-1-yl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamide
7E8
7E8
表記:(2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE
組成式:C17 H32 O4
SMILES:O=C(OCC(O)CO)CCCCCC=C/CCCCCC
InChi:InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-/t16-/m1/s1
別名:7.7 MAG
定義日:2011-03-31
最終更新日:2020-06-17
識別子（ID）:(2R)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate
MZ0
MZ0
表記:1H-imidazol-5-ylmethanol
組成式:C4 H6 N2 O
SMILES:OCc1cncn1
InChi:InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
別名:4(5)-(hydroxymethyl)imidazole
定義日:2012-10-26
最終更新日:2020-06-17
公開日:2013-10-23
識別子（ID）:1H-imidazol-5-ylmethanol
MZJ
MZJ
表記:1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
組成式:C25 H27 N5 O2
SMILES:n1c(c(c(nc1)N)c2ccc(cc2)Oc3ccccc3)NCC4CCN(C(=O)[C@H]=C)CC4
InChi:InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
別名:Evobrutinib
定義日:2019-04-24
最終更新日:2020-06-17
公開日:2019-08-14
識別子（ID）:1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
MZR
MZR
表記:5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
組成式:C9 H13 N3 O6
SMILES:O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N
InChi:InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
別名:Mizoribine
定義日:2011-07-12
最終更新日:2020-06-17
識別子（ID）:5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
MZY
MZY
表記:1,3-dihydroimidazole-2-thione
組成式:C3 H4 N2 S
SMILES:S=C1NC=CN1
InChi:InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
別名:2-Mercaptoimidazole
定義日:2016-05-12
最終更新日:2020-06-17
公開日:2016-06-01
識別子（ID）:1,3-dihydroimidazole-2-thione
2O7
2O7
表記:7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
組成式:C22 H15 Cl2 N3 O
SMILES:Clc4cc(C=1C(=O)N3C(C=1C#N)(Cc2ccc(C#N)cc2)CCC3)cc(Cl)c4
InChi:InChI=1S/C22H15Cl2N3O/c23-17-8-16(9-18(24)10-17)20-19(13-26)22(6-1-7-27(22)21(20)28)11-14-2-4-15(12-25)5-3-14/h2-5,8-10H,1,6-7,11H2/t22-/m0/s1
別名:(7aS)-7a-(4-cyanobenzyl)-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1H-pyrrolizine-7-carbonitrile
定義日:2007-07-16
最終更新日:2020-06-17
識別子（ID）:(7aS)-7a-(4-cyanobenzyl)-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1H-pyrrolizine-7-carbonitrile
N11
N11
表記:6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
組成式:C12 H15 N3 O4 S
SMILES:[O-][N+](=O)c1ccc(SCCCCCCO)c2nonc12
InChi:InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
別名:6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol
定義日:2009-04-08
最終更新日:2020-06-17
識別子（ID）:6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
2OW
2OW
表記:methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate
組成式:C20 H24 F N5 O3
SMILES:O=C(OC)N3CCN(Cc2c(F)c(NC(=O)Nc1ccc(nc1)C)ccc2)CC3
InChi:InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)
別名:omecamtiv mercarbil
定義日:2014-04-23
最終更新日:2020-06-17
公開日:2015-07-07
識別子（ID）:methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate
N1S
N1S
表記:(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
組成式:C15 H26 O
SMILES:CC(=CCCC(=CCCC(=C/CO)C)C)C
InChi:InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-
別名:cis,trans-Farnesol
定義日:2019-04-29
最終更新日:2020-06-17
公開日:2019-05-08
識別子（ID）:(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
2PD
2PD
表記:5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
組成式:C23 H24 N4 O5 S
SMILES:O=C4N(N=C(c1ccccc1)C(O)=C4C3=Nc2c(cc(OC)cc2)S(=O)(=O)N3)CCC(C)C
InChi:InChI=1S/C23H24N4O5S/c1-14(2)11-12-27-23(29)19(21(28)20(25-27)15-7-5-4-6-8-15)22-24-17-10-9-16(32-3)13-18(17)33(30,31)26-22/h4-10,13-14,28H,11-12H2,1-3H3,(H,24,26)
別名:5-hydroxy-4-(7-methoxy-1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
定義日:2008-01-11
最終更新日:2020-06-17
識別子（ID）:5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one
2PR
2PR
表記:2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-PURINE-5'-MONOPHOSPHATE
組成式:C10 H14 N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O
InChi:InChI=1S/C10H14N5O6P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,11,12,14)(H2,17,18,19)/t6-,7+,8+/m0/s1
別名:2-AMINOPURINE-2'-DEOXYRIBO-5'-MONOPHOSPHATE
定義日:2000-07-14
最終更新日:2020-06-17
識別子（ID）:9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine
2QE
2QE
表記:(2S,4R)-4-(3-Methoxy-3-oxopropyl) glutamic acid
組成式:C9 H15 N O6
SMILES:O=C(OC)CCC(C(=O)O)CC(C(=O)O)N
InChi:InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1
別名:(4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid
定義日:2014-01-18
最終更新日:2020-06-17
公開日:2014-08-06
識別子（ID）:(4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid
N34
N34
表記:N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide
組成式:C21 H29 N5 O6 S2
SMILES:O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C4N(N(C3=O)CCC(C)(C)C)CCC4)C
InChi:InChI=1S/C21H29N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h7-8,12,15,23,27H,5-6,9-11H2,1-4H3,(H,22,24)/t15-/m0/s1
別名:N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1, 2,4-benzothiadiazin-7-yl}methanesulfonamide
定義日:2008-05-01
最終更新日:2020-06-17
識別子（ID）:N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
N3A
N3A
表記:2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid
組成式:C24 H27 N O7
SMILES:O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC32C/C(=C)C(CC2O)CC34)C
InChi:InChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18-,23+,24+/m1/s1
別名:Platencin A1
定義日:2009-06-03
最終更新日:2020-06-17
識別子（ID）:2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
2QR
2QR
表記:(2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyr an-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
組成式:C22 H33 N4 O20 P3
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OCC(NCc3c(cnc(c3O)C)COP(=O)(O)O)C(O)C4O)O)O
InChi:InChI=1S/C22H33N4O20P3/c1-9-15(28)11(10(4-23-9)6-42-47(34,35)36)5-24-12-7-41-21(19(32)16(12)29)45-49(39,40)46-48(37,38)43-8-13-17(30)18(31)20(44-13)26-3-2-14(27)25-22(26)33/h2-4,12-13,16-21,24,28-32H,5-8H2,1H3,(H,37,38)(H,39,40)(H,25,27,33)(H2,34,35,36)/t12-,13+,16-,17+,18+,19+,20+,21+/m0/s1
別名:PLP-UDP-Ara4N
定義日:2014-01-09
最終更新日:2020-06-17
公開日:2014-03-12
識別子（ID）:(2R,3R,4S,5S)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
2R5
2R5
表記:N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
組成式:C27 H32 N6 O3 S
SMILES:O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCn3cccc3)cc4
InChi:InChI=1S/C27H32N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h5-15,18-19,32H,16-17H2,1-4H3,(H2,28,29,30,31)
別名:TG101348
定義日:2014-01-10
最終更新日:2020-06-17
公開日:2014-03-05
識別子（ID）:N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
2RD
2RD
表記:5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid
組成式:C15 H27 N3 O2 S
SMILES:O=C(O)c1nnnc1SCCCCCCCCCCCC
InChi:InChI=1S/C15H27N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21-14-13(15(19)20)16-18-17-14/h2-12H2,1H3,(H,19,20)(H,16,17,18)
別名:4-carboxy-5-dodecylsulfanyl-1,2,3-triazole
定義日:2007-10-08
最終更新日:2020-06-17
識別子（ID）:5-(dodecylsulfanyl)-1H-1,2,3-triazole-4-carboxylic acid
N4P
N4P
表記:N,N-bis(3-aminopropyl)butane-1,4-diamine
組成式:C10 H26 N4
SMILES:NCCCCN(CCCN)CCCN
InChi:InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2
別名:N4-aminopropylspermidine
定義日:2016-02-26
最終更新日:2020-06-17
公開日:2018-08-15
識別子（ID）:~{N}',~{N}'-bis(3-azanylpropyl)butane-1,4-diamine

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