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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
SC2
SC2
表記:N-ACETYL-L-CYSTEINE
組成式:C5 H9 N O3 S
SMILES:O=C(NC(C(=O)O)CS)C
InChi:InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
別名:(2R)-2-acetamido-3-sulfanyl-propanoic acid
定義日:2006-08-11
最終更新日:2020-06-17
識別子（ID）:N-acetyl-L-cysteine
SCU
SCU
表記:N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM
組成式:C9 H18 N O3
SMILES:O=CCCC(=O)OCC[N+](C)(C)C
InChi:InChI=1S/C9H18NO3/c1-10(2,3)6-8-13-9(12)5-4-7-11/h7H,4-6,8H2,1-3H3/q+1
別名:SUCCINYLMONOCHOLINE
定義日:2006-06-14
最終更新日:2020-06-17
識別子（ID）:N,N,N-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium
SD8
SD8
表記:2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER
組成式:C18 H20 N4 O2 S2
SMILES:O=C(OCC)c1nc(sc1)N4CCN(C2=Nc3c(SC2)cccc3)CC4
InChi:InChI=1S/C18H20N4O2S2/c1-2-24-17(23)14-11-26-18(20-14)22-9-7-21(8-10-22)16-12-25-15-6-4-3-5-13(15)19-16/h3-6,11H,2,7-10,12H2,1H3
別名:SDZ 880-061
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:ethyl 2-[4-(2H-1,4-benzothiazin-3-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
06X
06X
表記:Amlodipine
組成式:C20 H25 Cl N2 O5
SMILES:CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C
InChi:InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m1/s1
別名:O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
定義日:2011-09-15
最終更新日:2020-06-17
公開日:2012-09-07
識別子（ID）:O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
072
072
表記:(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE
組成式:C37 H46 N2 O4 S
SMILES:O=C(O)c1ccc(cc1)CCCCN2C(=O)C(SC2CCCCCCC)CC(=O)N(Cc3ccccc3)Cc4ccccc4
InChi:InChI=1S/C37H46N2O4S/c1-2-3-4-5-12-20-35-39(25-14-13-15-29-21-23-32(24-22-29)37(42)43)36(41)33(44-35)26-34(40)38(27-30-16-8-6-9-17-30)28-31-18-10-7-11-19-31/h6-11,16-19,21-24,33,35H,2-5,12-15,20,25-28H2,1H3,(H,42,43)/t33-,35-/m0/s1
別名:THIAZOLIDINONE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid
074
074
表記:[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIONYL]-ISOLEUCYL-PROLINE
組成式:C18 H31 N3 O6
SMILES:O=C(N1C(C(=O)O)CCC1)C(NC(=O)CC(O)C(=O)NCCC)C(C)CC
InChi:InChI=1S/C18H31N3O6/c1-4-8-19-16(24)13(22)10-14(23)20-15(11(3)5-2)17(25)21-9-6-7-12(21)18(26)27/h11-13,15,22H,4-10H2,1-3H3,(H,19,24)(H,20,23)(H,26,27)/t11-,12-,13-,15-/m0/s1
別名:CA-074
定義日:1999-07-12
最終更新日:2020-06-17
識別子（ID）:N-[(3S)-3-hydroxy-4-oxo-4-(propylamino)butanoyl]-L-isoleucyl-L-proline
075
075
表記:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
組成式:C40 H45 N5 O9 S2
SMILES:O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CS(=O)(=O)C)Cc5ccccc5)CSC6(C)C
InChi:InChI=1S/C40H45N5O9S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-55-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-56(3,52)53)42-33(47)21-54-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1
別名:KNI-10075
定義日:2007-04-18
最終更新日:2020-06-17
識別子（ID）:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methylsulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SDT
SDT
表記:3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
組成式:C19 H24 O4
SMILES:O=C3C(CCc1c(ccc(O)c1O)C)C2C(C(=O)CC2)(CC3)C
InChi:InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1
別名:3,4-dhsa
定義日:2008-02-14
最終更新日:2020-06-17
識別子（ID）:3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
07J
07J
表記:3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
組成式:C26 H31 Cl2 N7 O3
SMILES:Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)Nc4ccc(N3CCN(CC)CC3)cc4)C
InChi:InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
別名:BGJ398
定義日:2011-09-27
最終更新日:2020-06-17
識別子（ID）:3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
07P
07P
表記:N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
組成式:C55 H107 N O8
SMILES:O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCCCCCCC2CC2CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C55H107NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-34-38-42-51(59)56-48(45-63-55-54(62)53(61)52(60)50(44-57)64-55)49(58)41-37-33-30-32-36-40-47-43-46(47)39-35-31-28-12-10-8-6-4-2/h46-50,52-55,57-58,60-62H,3-45H2,1-2H3,(H,56,59)/t46-,47-,48+,49-,50-,52+,53+,54-,55+/m1/s1
別名:SMC124
定義日:2011-10-03
最終更新日:2020-06-17
識別子（ID）:N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
07V
07V
表記:(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
組成式:C10 H14 O
SMILES:O=C1C(=CCC(C(=C)C)C1)C
InChi:InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
別名:R-carvone
定義日:2011-10-07
最終更新日:2020-06-17
公開日:2012-09-21
識別子（ID）:(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
085
085
表記:4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
組成式:C22 H16 N4 O3
SMILES:O=C(N)c1ccc(cc1)c5nc(c2ncccc2)c(c3ccc4OCOc4c3)n5
InChi:InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
別名:SB431542
定義日:2011-10-11
最終更新日:2020-06-17
識別子（ID）:4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
08H
08H
表記:8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
組成式:C17 H13 Cl N4
SMILES:Clc2cc1C(=NCc3nnc(n3c1cc2)C)c4ccccc4
InChi:InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
別名:ALPRAZOLAM
定義日:2011-10-13
最終更新日:2020-06-17
識別子（ID）:8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
08J
08J
表記:8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
組成式:C18 H13 Cl F N3
SMILES:Fc4ccccc4C2=NCc1cnc(n1c3c2cc(Cl)cc3)C
InChi:InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
別名:Midazolam
定義日:2011-10-13
最終更新日:2020-06-17
識別子（ID）:8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SF1
SF1
表記:1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
組成式:C22 H16 Cl N O2 S
SMILES:Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O)O)Cc4ccccc4
InChi:InChI=1S/C22H16ClNO2S/c23-16-11-12-19-18(13-16)21(27-17-9-5-2-6-10-17)20(22(25)26)24(19)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,25,26)
別名:SR145
定義日:2007-06-25
最終更新日:2020-06-17
識別子（ID）:1-benzyl-5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid
SF2
SF2
表記:5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
組成式:C23 H18 Cl N O3 S
SMILES:Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O)O)Cc4cccc(OC)c4
InChi:InChI=1S/C23H18ClNO3S/c1-28-17-7-5-6-15(12-17)14-25-20-11-10-16(24)13-19(20)22(21(25)23(26)27)29-18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,26,27)
別名:SF147
定義日:2007-06-25
最終更新日:2020-06-17
識別子（ID）:5-chloro-1-(3-methoxybenzyl)-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid
SF8
SF8
表記:(2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic acid
組成式:C17 H24 N2 O14
SMILES:OC(=O)C[C](O)(CC(=O)NCCC[CH](NC(=O)C[C](O)(CC(O)=O)C(O)=O)C(O)=O)C(O)=O
InChi:InChI=1S/C17H24N2O14/c20-9(4-16(32,14(28)29)6-11(22)23)18-3-1-2-8(13(26)27)19-10(21)5-17(33,15(30)31)7-12(24)25/h8,32-33H,1-7H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)/t8-,16+,17-/m1/s1
別名:Staphyloferrin A
定義日:2010-02-01
最終更新日:2020-06-17
識別子（ID）:(2R)-2-[2-[[(2R)-5-[[(3S)-3-carboxy-3,5-dihydroxy-5-oxo-pentanoyl]amino]-1-hydroxy-1-oxo-pentan-2-yl]amino]-2-oxo-ethyl]-2-hydroxy-butanedioic acid
SFA
SFA
表記:SANGLIFEHRIN A
組成式:C60 H91 N5 O13
SMILES:O=C3N5NC(C(=O)OC(C(=CC=CCCC(C)C(O)CC2OC1(NC(=O)C(CC1C)CC)C(C)C(O)C2C)C)CC=CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC3Cc4cccc(O)c4)C(C)C)CCC(=O)C)CCC5
InChi:InChI=1S/C60H91N5O13/c1-11-43-30-37(6)60(63-55(43)72)41(10)53(70)40(9)51(78-60)33-49(69)35(4)20-14-12-15-21-36(5)50-26-17-13-16-25-48(68)39(8)54(71)45(28-27-38(7)66)56(73)62-52(34(2)3)57(74)61-47(32-42-22-18-23-44(67)31-42)58(75)65-29-19-24-46(64-65)59(76)77-50/h12-13,15-18,21-23,25,31,34-35,37,39-41,43,45-54,64,67-71H,11,14,19-20,24,26-30,32-33H2,1-10H3,(H,61,74)(H,62,73)(H,63,72)/b15-12+,17-13+,25-16+,36-21+/t35-,37-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1
別名:(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-{(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,6R,9S,11S)-9-ETHYL-4-HYDROXY-3,5,11-TRIMETHYL- 8-OXO-1-OXA-7-AZASPIRO[5.5]UNDEC-2-YL]-8-HYDROXY-1,7-DIMETHYLNONA-1,3-DIENYL}-10,12-DIHYDROXY-3-(3-HYDROXYBENZYL)-6-ISOP ROPYL-11-METHYL-9-(3-OXOBUTYL)-19-OXA-1,4,7,25-TETRAAZABICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRONE
定義日:2005-02-03
最終更新日:2020-06-17
識別子（ID）:(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-{(1E,3E,7S,8S)-9-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undec-2-yl]-8-hydroxy-1,7-dimethylnona-1,3-dien-1-yl}-10,12-dihydroxy-3-(3-hydroxybenzyl)-11-methyl-6-(1-methylethyl)-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
SFE
SFE
表記:(3S)-3-amino-3-phenylpropanoic acid
組成式:C9 H11 N O2
SMILES:O=C(O)CC(N)c1ccccc1
InChi:InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
別名:S-BETA-PHENYLALANINE
定義日:2011-05-30
最終更新日:2020-06-17
識別子（ID）:(3S)-3-amino-3-phenylpropanoic acid
SFG
SFG
表記:SINEFUNGIN
組成式:C15 H23 N7 O5
SMILES:O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
別名:ADENOSYL-ORNITHINE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid (non-preferred name)
093
093
表記:N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE
組成式:C14 H16 Cl N3 O4 S2
SMILES:O=C(N=C1/SC(=C(N1)C)c2ccc(Cl)c(c2)S(=O)(=O)NCCO)C
InChi:InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
別名:PIK-93
定義日:2006-03-16
最終更新日:2020-06-17
識別子（ID）:N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide
SFI
SFI
表記:2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid
組成式:C20 H17 F O2 S
SMILES:O=C(O)CC=2c3cc(F)ccc3C(=C/c1ccc(SC)cc1)C=2C
InChi:InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
別名:sulindac sulfide
定義日:2011-05-19
最終更新日:2020-06-17
識別子（ID）:{(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetic acid
09C
09C
表記:(3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one
組成式:C20 H16 Br2 N4 O
SMILES:Brc1cc2c(cc1)c(cn2)C5C(=O)NCC(c3cnc4cc(Br)ccc34)N5
InChi:InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-24,26H,9H2,(H,25,27)/t18-,19-/m0/s1
別名:cis-3,4-dihydrohamacanthin B
定義日:2011-07-26
最終更新日:2020-06-17
識別子（ID）:(3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one
SFR
SFR
表記:(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
組成式:C12 H17 N O6 S
SMILES:OC(=O)C(C1NC(C(O)=O)=C(S1)C2OCCC2)C(O)C
InChi:InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,10-/m1/s1
別名:FAROPENEM, unbound, hydrolyzed form
定義日:2007-11-27
最終更新日:2020-06-17
識別子（ID）:(2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid

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