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790
790
表記:1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE
組成式:C9 H12 N O4 P
SMILES:O=P(O)(O)Oc1cccc2c1NCCC2
InChi:InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13)
別名:RU79073
定義日:2003-06-20
最終更新日:2020-06-17
識別子（ID）:1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate
796
796
表記:N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
組成式:C19 H19 Cl2 N5 O S
SMILES:O=C(c2sc(c1nc(ncc1)NC)cc2)NC(Cc3ccc(Cl)cc3Cl)CN
InChi:InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
別名:NOVARTIS 273796
定義日:2006-05-23
最終更新日:2020-06-17
識別子（ID）:N-[(1S)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
LGB
LGB
表記:2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile
組成式:C15 H13 Cl F3 N3 O2
SMILES:N#Cc3ccc(/N=C1OC(C(F)(F)F)C2N1CCC2O)c(c3Cl)C
InChi:InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13+/m0/s1
別名:3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
定義日:2009-01-30
最終更新日:2020-06-17
識別子（ID）:2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile
79V
79V
表記:(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile
組成式:C17 H15 F N2 O
SMILES:C(C1NC(C#N)C1c3ccc(c2c(cccc2)F)cc3)O
InChi:InChI=1S/C17H15FN2O/c18-14-4-2-1-3-13(14)11-5-7-12(8-6-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17-/m0/s1
別名:BRD4592
定義日:2016-09-19
最終更新日:2020-06-17
公開日:2017-05-31
識別子（ID）:(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile
LGP
LGP
表記:N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE
組成式:C9 H14 N5 O7 P
SMILES:O=P(O)(O)OCC(OCn1c2N=C(NC(=O)c2nc1)N)CO
InChi:InChI=1S/C9H14N5O7P/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-20-5(1-15)2-21-22(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1
別名:LINEAR DECARBON-C2* GUANOSINE-5'-MONOPHOSPHATE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl dihydrogen phosphate
LGZ
LGZ
表記:CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDROXY-4-PHENYL-3-(TETRAHYDRO-FURAN- 3-YLOXYCARBONYLAMINO)-BUTYL]-4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}- INDAN-2-YL ESTER
組成式:C36 H39 N3 O7
SMILES:O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4CC5OC(=O)N)Cc6ccccc6
InChi:InChI=1S/C36H39N3O7/c37-34(42)46-31-18-25-13-7-8-14-27(25)32(31)28-21-38-36(33(28)41,19-24-11-5-2-6-12-24)20-30(40)29(17-23-9-3-1-4-10-23)39-35(43)45-26-15-16-44-22-26/h1-14,21,26,29-32,38,40H,15-20,22H2,(H2,37,42)(H,39,43)/t26-,29+,30+,31-,32-,36+/m1/s1
別名:LGZ479 INHIBITOR
定義日:2003-01-21
最終更新日:2020-06-17
識別子（ID）:(3R)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate
LHA
LHA
表記:DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162
組成式:C37 H65 N7 O16
SMILES:O=C(NC5C(O)C(OC3OC(C(OC1OC(CN)C(O)C(O)C1N)C3OCCNCCc2ccccc2)CO)C(OC4OC(CO)C(O)C(O)C4N)C(N)C5)C(O)CCN
InChi:InChI=1S/C37H65N7O16/c38-8-6-19(47)34(53)44-18-12-17(40)30(58-36-24(42)29(52)27(50)21(14-45)56-36)32(25(18)48)60-37-33(54-11-10-43-9-7-16-4-2-1-3-5-16)31(22(15-46)57-37)59-35-23(41)28(51)26(49)20(13-39)55-35/h1-5,17-33,35-37,43,45-52H,6-15,38-42H2,(H,44,53)/t17-,18+,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32+,33+,35+,36+,37-/m0/s1
別名:(2S)-4-AMINO-N-[(1R,2S,3R,4R,5S)-5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-{[3-O-(2,6-DIAMINO-2,6-DIDEO XY-BETA-L-IDOPYRANOSYL)-2-O-{2-[(2-PHENYLETHYL)AMINO]ETHYL}-BETA-D-RIBOFURANOSYL]OXY}-2-HYDROXYCYCLOHEXYL]-2-HYDROXYBUTA NAMIDE
定義日:2007-06-05
最終更新日:2020-06-17
識別子（ID）:(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanamide
7AS
7AS
表記:4-fluoro-N-{1-[(Z)-iminomethyl]cyclopropyl}-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-L-leucinamide
組成式:C25 H29 F4 N3 O3 S
SMILES:c2cc(c1ccc(S(=O)(C)=O)cc1)ccc2C(NC(CC(C)(C)F)C(=O)NC3(CC3)[C@H]=N)C(F)(F)F
InChi:InChI=1S/C25H29F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,15,20-21,30-31H,12-14H2,1-3H3,(H,32,33)/b30-15-/t20-,21-/m0/s1
別名:covalently linked Odanacatib
定義日:2016-09-26
最終更新日:2020-06-17
公開日:2017-01-25
識別子（ID）:4-fluoro-N-{1-[(Z)-iminomethyl]cyclopropyl}-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl}-L-leucinamide
7AT
7AT
表記:1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C12 H15 N8 O7 P
SMILES:O=P(O)(O)OCC4OC(n2nc(c1c(ncnc12)N)c3cnnn3)C(O)C4O
InChi:InChI=1S/C12H15N8O7P/c13-10-6-7(4-1-16-19-17-4)18-20(11(6)15-3-14-10)12-9(22)8(21)5(27-12)2-26-28(23,24)25/h1,3,5,8-9,12,21-22H,2H2,(H2,13,14,15)(H,16,17,19)(H2,23,24,25)/t5-,8-,9-,12-/m1/s1
別名:7-triazolyl-8-aza-7-deazaadenosine
定義日:2013-11-22
最終更新日:2020-06-17
公開日:2014-07-02
識別子（ID）:1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
7AY
7AY
表記:5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile
組成式:C24 H18 Cl N3 O4
SMILES:c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)Cl
InChi:InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)
別名:JLJ651
定義日:2016-09-26
最終更新日:2020-06-17
公開日:2017-01-11
識別子（ID）:5-chloro-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
LIC
LIC
表記:3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA
組成式:C24 H28 Cl N5 O3
SMILES:Clc1ccccc1CNC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C)c3ccc(OC)cc3
InChi:InChI=1S/C24H28ClN5O3/c1-16(24(2,3)32)28-22-26-14-13-21(29-22)30(18-9-11-19(33-4)12-10-18)23(31)27-15-17-7-5-6-8-20(17)25/h5-14,16,32H,15H2,1-4H3,(H,27,31)(H,26,28,29)/t16-/m0/s1
別名:3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
定義日:2006-03-29
最終更新日:2020-06-17
識別子（ID）:3-(2-chlorobenzyl)-1-(2-{[(1S)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
LIF
LIF
表記:N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
組成式:C27 H19 F4 N5 O3
SMILES:FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc5ccc(c2c4c(ncnc4oc2c3ccc(OC)cc3)N)cc5
InChi:InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)
別名:N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
定義日:2005-02-22
最終更新日:2020-06-17
識別子（ID）:1-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
LIV
LIV
表記:(2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL
組成式:C29 H55 N5 O18
SMILES:O(C2C(OC1OC(CO)C(O)CC1N)C(N)CC(N)C2O)C5OC(C(OC4OC(CN)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4N)C5O)CO
InChi:InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1
別名:LIVIDOMYCIN A
定義日:2005-11-16
最終更新日:2020-06-17
識別子（ID）:(1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-{[alpha-D-mannopyranosyl-(1->4)-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1->3)-beta-D-ribofuranosyl]oxy}cyclohexyl 2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranoside
LJ1
LJ1
表記:2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol
組成式:C16 H16 O
SMILES:Oc2c(cc(C=Cc1ccccc1)cc2C)C
InChi:InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+
別名:3,5-Dimethyl-4-hydroxystilbene
定義日:2008-03-25
最終更新日:2020-06-17
識別子（ID）:2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol
LJ3
LJ3
表記:3,5-dibromobiphenyl-4-ol
組成式:C12 H8 Br2 O
SMILES:Brc1cc(cc(Br)c1O)c2ccccc2
InChi:InChI=1S/C12H8Br2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H
別名:3,5-Dibromo-4-hydroxybiphenyl
定義日:2008-03-25
最終更新日:2020-06-17
識別子（ID）:3,5-dibromobiphenyl-4-ol
LJ4
LJ4
表記:2,6-dibromo-4-phenoxyphenol
組成式:C12 H8 Br2 O2
SMILES:Brc2cc(Oc1ccccc1)cc(Br)c2O
InChi:InChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H
別名:1,3-Dibromo-2-hydroxy-5-phenoxybenzene
定義日:2008-03-25
最終更新日:2020-06-17
識別子（ID）:2,6-dibromo-4-phenoxyphenol
7D3
7D3
表記:[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate
組成式:C10 H15 N5 O9 P2
SMILES:c1nc(c2c(n1)n(cn2)C3C(C(O3)COP(OP(O)(=O)O)(O)=O)CO)N
InChi:InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1
別名:oxetanocin A diphosphate
定義日:2016-10-07
最終更新日:2020-06-17
公開日:2016-11-23
識別子（ID）:[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate
7D7
7D7
表記:[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol
組成式:C10 H13 N5 O3
SMILES:O1C(C(C1CO)CO)n2c3c(nc2)c(N)ncn3
InChi:InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1
別名:OXETANOCIN
定義日:2016-10-07
最終更新日:2020-06-17
公開日:2016-11-16
識別子（ID）:[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol
7DF
7DF
表記:Dihydropentalenolactone F
組成式:C15 H20 O5
SMILES:C1C4C3(CC1(C)C)C2(OC2)C(=O)OCC3C(C(O)=O)C4
InChi:InChI=1S/C15H20O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h8-10H,3-7H2,1-2H3,(H,16,17)/t8-,9-,10+,14-,15-/m1/s1
別名:(2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid
定義日:2016-08-04
最終更新日:2020-06-17
公開日:2016-09-14
識別子（ID）:(2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid
7DK
7DK
表記:METHYL ((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~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
組成式:C28 H28 Cl N9 O4
SMILES:[C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CCCCC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5
InChi:InChI=1S/C28H28ClN9O4/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/h7-16,21H,2-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b12-7+/t21-/m0/s1
別名:methyl [(8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azen o)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
定義日:2016-10-10
最終更新日:2020-06-17
公開日:2017-03-01
識別子（ID）:methyl [(8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
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
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
7EP
7EP
表記:(2R,4S)-2-[(1R)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C17 H22 N2 O6 S
SMILES:O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC
InChi:InChI=1S/C17H22N2O6S/c1-17(2)13(16(22)23)19-15(26-17)9(8-20)18-14(21)12-10(24-3)6-5-7-11(12)25-4/h5-9,13,15,19H,1-4H3,(H,18,21)(H,22,23)/t9-,13+,15-/m1/s1
別名:methicillin, bound form
定義日:2010-06-28
最終更新日:2020-06-17
識別子（ID）:(2R,4S)-2-{(1R)-1-[(2,6-dimethoxybenzoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

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