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2X7
2X7
表記:(3E)-3-iminooxepin-2(3H)-one
組成式:C6 H5 N O2
SMILES:O=C1OC=CC=CC1=[N@H]
InChi:InChI=1S/C6H5NO2/c7-5-3-1-2-4-9-6(5)8/h1-4,7H/b7-5+
別名:(4Z,6Z)-3-iminooxepin-2(3H)-one
定義日:2012-05-23
最終更新日:2020-06-17
公開日:2013-01-11
識別子（ID）:(3E)-3-iminooxepin-2(3H)-one
2XM
2XM
表記:2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol)
組成式:C21 H27 N5 O4 S2
SMILES:OCCOc3c(OCCO)cc(c1nc(c(s1)CCC)CSc2nc(N)cc(n2)N)cc3
InChi:InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)
別名:2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol
定義日:2014-04-08
最終更新日:2020-06-17
公開日:2014-11-05
識別子（ID）:2,2'-{[4-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)benzene-1,2-diyl]bis(oxy)}diethanol
RRO
RRO
表記:5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
組成式:C5 H3 Br N2 O4
SMILES:O=C1NC(C(=O)O)=C(Br)C(=O)N1
InChi:InChI=1S/C5H3BrN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
別名:5-bromoorotic acid
定義日:2012-11-19
最終更新日:2020-06-17
公開日:2013-11-20
識別子（ID）:5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
2Y0
2Y0
表記:N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide
組成式:C20 H26 N6 O3 S3
SMILES:O=S(=O)(NCCOc1cccc(c1)c2nc(c(s2)CCC)CSc3nc(N)cc(n3)N)C
InChi:InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)
別名:N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide
定義日:2014-04-09
最終更新日:2020-06-17
公開日:2015-02-18
識別子（ID）:N-{2-[3-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)phenoxy]ethyl}methanesulfonamide
2Y2
2Y2
表記:N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
組成式:C33 H48 N6 O5 S
SMILES:O=C(c2nc1ccccc1n2)NC(C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN4CCOCC4)CC#C)CSC
InChi:InChI=1S/C33H48N6O5S/c1-3-9-24(31(41)34-14-15-39-16-18-44-19-17-39)21-29(40)27(20-23-10-5-4-6-11-23)37-32(42)28(22-45-2)38-33(43)30-35-25-12-7-8-13-26(25)36-30/h1,7-8,12-13,23-24,27-29,40H,4-6,9-11,14-22H2,2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,43)/t24-,27+,28+,29-/m1/s1
別名:CP-108,420
定義日:2010-11-10
最終更新日:2020-06-17
識別子（ID）:N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
RS3
RS3
表記:1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol
組成式:C18 H23 N5 O6
SMILES:O=C2N=C1N(c3cc(N(C)C)c(cc3N=C1C(=O)N2)C)CC(O)C(O)C(O)CO
InChi:InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15-/m0/s1
別名:Roseoflavin
定義日:2008-11-18
最終更新日:2020-06-17
識別子（ID）:1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol
2Y4
2Y4
表記:N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide
組成式:C32 H49 F2 N5 O6
SMILES:O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3
InChi:InChI=1S/C32H49F2N5O6/c1-3-4-15-24(28(41)37-25(20-22-11-7-5-8-12-22)27(40)32(33,34)30(43)35-2)36-29(42)26(21-23-13-9-6-10-14-23)38-31(44)39-16-18-45-19-17-39/h6,9-10,13-14,22,24-27,40H,3-5,7-8,11-12,15-21H2,1-2H3,(H,35,43)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27+/m0/s1
別名:CP-81,198
定義日:2010-11-09
最終更新日:2020-06-17
識別子（ID）:N-[(2S)-1-{[(2S)-1-{[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxopentan-2-yl]amino}-1-oxohexan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (non-preferred name)
2Y8
2Y8
表記:(R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
組成式:C19 H22 F N5 O2 S2
SMILES:FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C
InChi:InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m1/s1
別名:2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine
定義日:2014-04-10
最終更新日:2020-06-17
公開日:2014-11-05
識別子（ID）:2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine
2ZE
2ZE
表記:(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol
組成式:C20 H34 O4
SMILES:OCC4(O)C3CC2C(C1(C(C(C)(CO)C(O)CC1)CC2)C)(C3)CC4
InChi:InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
別名:Aphidicolin
定義日:2014-05-01
最終更新日:2020-06-17
公開日:2014-11-26
識別子（ID）:(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol
2ZO
2ZO
表記:N,N,N-trimethyl-4-oxobutan-1-aminium
組成式:C7 H16 N O
SMILES:O=CCCC[N+](C)(C)C
InChi:InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
別名:4-N-trimethylaminobutyraldehyde
定義日:2014-05-01
最終更新日:2020-06-17
公開日:2014-05-21
識別子（ID）:N,N,N-trimethyl-4-oxobutan-1-aminium
RTD
RTD
表記:(2R)-phenyl(sulfanyl)ethanoic acid
組成式:C8 H8 O2 S
SMILES:O=C(O)C(S)c1ccccc1
InChi:InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)/t7-/m1/s1
別名:alpha-mercaptophenylacetic acid, R-thiomandelic acid
定義日:2013-02-26
最終更新日:2020-06-17
公開日:2013-10-09
識別子（ID）:(2R)-phenyl(sulfanyl)ethanoic acid
RTE
RTE
表記:3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid
組成式:C22 H16 Cl F N2 O4
SMILES:c1(c(F)cc(cc1)Oc2cc3c(cc2)nc(n3C)COc4cc(ccc4)C(O)=O)Cl
InChi:InChI=1S/C22H16ClFN2O4/c1-26-20-11-16(30-15-5-7-17(23)18(24)10-15)6-8-19(20)25-21(26)12-29-14-4-2-3-13(9-14)22(27)28/h2-11H,12H2,1H3,(H,27,28)
別名:4-[[6-(4-chloro-3-fluoro-phenoxy)-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
定義日:2018-01-30
最終更新日:2020-06-17
公開日:2018-10-17
識別子（ID）:3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid
308
308
表記:(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine
組成式:C10 H17 N
SMILES:NC12CC3CC(C1)CC(C2)C3
InChi:InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/t7-,8+,9-,10-
別名:Amantadine
定義日:2008-02-21
最終更新日:2020-06-17
識別子（ID）:(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine
312
312
表記:2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
組成式:C25 H20 N4 O6
SMILES:[O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3OC)c4
InChi:InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1
別名:CRA_17312
定義日:2003-03-14
最終更新日:2020-06-17
識別子（ID）:(2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-methoxy-6-oxidobiphenyl-3-yl)butanedioate
RUN
RUN
表記:2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE
組成式:C38 H46 N4 O5
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(O)CC(c2ncc(n2)C(=O)C(C)C)Cc3ccccc3)Cc4ccccc4)C(C)C
InChi:InChI=1S/C38H46N4O5/c1-25(2)34(42-38(46)47-24-29-18-12-7-13-19-29)37(45)41-31(21-28-16-10-6-11-17-28)33(43)22-30(20-27-14-8-5-9-15-27)36-39-23-32(40-36)35(44)26(3)4/h5-19,23,25-26,30-31,33-34,43H,20-22,24H2,1-4H3,(H,39,40)(H,41,45)(H,42,46)/t30-,31+,33+,34+/m1/s1
別名:SB206343
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:N-{(1S,2S,4R)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-5-phenylpentyl}-N~2~-[(benzyloxy)carbonyl]-L-valinamide
31B
31B
表記:benzoyl-oxydephosphocoenzyme A
組成式:C28 H39 N7 O15 P2
SMILES:O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC3OC(c2nc1c(ncnc1n2)N)C(O)C3O)O)O)c4ccccc4
InChi:InChI=1S/C28H39N7O15P2/c1-28(2,22(39)26(40)31-9-8-17(36)30-10-11-46-27(41)15-6-4-3-5-7-15)13-48-52(44,45)50-51(42,43)47-12-16-19(37)20(38)21(49-16)25-34-18-23(29)32-14-33-24(18)35-25/h3-7,14,16,19-22,37-39H,8-13H2,1-2H3,(H,30,36)(H,31,40)(H,42,43)(H,44,45)(H3,29,32,33,34,35)/t16-,19+,20+,21-,22-/m0/s1
別名:benzoyl-OdCoA
定義日:2014-05-15
最終更新日:2020-06-17
公開日:2015-05-13
識別子（ID）:(3S,5S,9R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-8-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl benzoate (non-preferred name)
31I
31I
表記:(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en -1-one
組成式:C27 H30 N6 O3
SMILES:O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C(C)C
InChi:InChI=1S/C27H30N6O3/c1-16(2)24-21-8-6-5-7-19(21)15-31-33(24)23(34)10-9-18-11-17(13-22(35-3)25(18)36-4)12-20-14-30-27(29)32-26(20)28/h5-11,13-16,24H,12H2,1-4H3,(H4,28,29,30,32)/b10-9+/t24-/m0/s1
別名:(S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isopropylphthalazin-2(1H)-yl)prop-2-en-1-one
定義日:2012-04-17
最終更新日:2020-06-17
公開日:2013-02-08
識別子（ID）:(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en-1-one
31S
31S
表記:(2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid
組成式:C23 H19 Cl O2
SMILES:Clc1ccc(cc1)CCC(c3ccc(c2ccccc2)cc3)=CC(=O)O
InChi:InChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16-
別名:PS315
定義日:2014-03-11
最終更新日:2020-06-17
公開日:2014-05-28
識別子（ID）:(2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid
RVI
RVI
表記:(2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide
組成式:C29 H37 N3 O
SMILES:O=C(NCC1CCCCC1)C(CCC)Cc2cc3cc(ccc3nc2N)c4ccccc4C
InChi:InChI=1S/C29H37N3O/c1-3-9-23(29(33)31-19-21-11-5-4-6-12-21)17-25-18-24-16-22(14-15-27(24)32-28(25)30)26-13-8-7-10-20(26)2/h7-8,10,13-16,18,21,23H,3-6,9,11-12,17,19H2,1-2H3,(H2,30,32)(H,31,33)/t23-/m1/s1
別名:2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide
定義日:2011-05-10
最終更新日:2020-06-17
識別子（ID）:(2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide
326
326
表記:2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID
組成式:C18 H16 N4 O9 S2
SMILES:O=S(=O)(O)c3cc(/N=N/c2c(nn(c1c(cc(cc1)S(=O)(=O)O)C)c2O)C)c(C(=O)O)cc3
InChi:InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+
別名:2-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFO-PHENYL)-1H-PYRAZOL-4-YLAZO]-4-SULFO-BENZOIC ACID
定義日:2004-06-17
最終更新日:2020-06-17
識別子（ID）:2-{(E)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid
RX3
RX3
表記:N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT OPHAN
組成式:C33 H36 N3 O7 P
SMILES:O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)C5CCCC5C(=O)NC(C(=O)O)Cc4c3ccccc3nc4
InChi:InChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,26,28-30,34H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)(H,41,42)/t26-,28+,29-,30-/m1/s1
別名:RXPA380
定義日:2007-01-04
最終更新日:2020-06-17
識別子（ID）:N-({(1S,2R)-2-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-tryptophan
RX5
RX5
表記:methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate
組成式:C26 H41 Cl N4 O5
SMILES:Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NCC(NC)CC2CCCOC2)C3
InChi:InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1
別名:VTP-27999
定義日:2011-02-14
最終更新日:2020-06-17
識別子（ID）:methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate
RXM
RXM
表記:(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1 5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2 5-yl acetate
組成式:C43 H51 N3 O11
SMILES:N4C(=O)C(C)=CC=CC(C)C(C(C)C(C(C)C(C(C)C(C=COC1(C(=O)c2c(O1)c(c(c5c2c6nc3cc(C)ccn3c6c4c5O)O)C)C)OC)OC(C)=O)O)O
InChi:InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1
別名:Rifaximin
定義日:2017-10-26
最終更新日:2020-06-17
公開日:2018-07-18
識別子（ID）:(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate
RYN
RYN
表記:N-ethyl-N'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
組成式:C9 H17 N5 S
SMILES:S(c1nc(nc(n1)NC(C)C)NCC)C
InChi:InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
別名:Ametryn
定義日:2010-03-05
最終更新日:2020-06-17
識別子（ID）:N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
7JG
7JG
表記:5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
組成式:C20 H12 F2 N2 O2
SMILES:Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14
InChi:InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26)
別名:5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
定義日:2016-11-02
最終更新日:2020-06-17
公開日:2017-11-22
識別子（ID）:5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one

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