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CMZ
CMZ
表記:(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
組成式:C15 H23 N O3
SMILES:OC(CN1CCOCC1)COc2cc(ccc2C)C
InChi:InChI=1S/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1
別名:(S)-1-(2,5-dimethylphenoxy)-3-morpholinopropan-2-ol
定義日:2007-07-16
最終更新日:2020-06-17
識別子（ID）:(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
MCZ
MCZ
表記:(1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol
組成式:C26 H42 O4
SMILES:OC3C(=C)C(=C/C=C1CCCC2(C)C(C(OCCC(O)(C)C)C)CCC12)CC(O)C3
InChi:InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1
別名:Maxacalcitol
定義日:2011-06-28
最終更新日:2020-06-17
識別子（ID）:(1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol
CNH
CNH
表記:2-HYDROXY-2-METHYLPROPANENITRILE
組成式:C4 H7 N O
SMILES:N#CC(O)(C)C
InChi:InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
別名:ACETONE CYANOHYDRIN
定義日:2000-09-20
最終更新日:2020-06-17
識別子（ID）:2-hydroxy-2-methylpropanenitrile
CNL
CNL
表記:1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE
組成式:C10 H18 O
SMILES:O2C1(CCC(CC1)C2(C)C)C
InChi:InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
別名:1,8-CINEOLE
定義日:2005-04-04
最終更新日:2020-06-17
識別子（ID）:(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
MD7
MD7
表記:(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
組成式:C19 H16 N2 O2
SMILES:O=C(C(C#N)=C(/O)C1CC1)Nc3ccc(c2ccccc2)cc3
InChi:InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17-
別名:N-(Biphenyl-4-yl)-2-cyano-3-cyclopropyl-3-hydroxyacrylamide
定義日:2009-02-02
最終更新日:2020-06-17
識別子（ID）:(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
CNU
CNU
表記:5-CYANO-URIDINE-5'-MONOPHOSPHATE
組成式:C10 H12 N3 O9 P
SMILES:N#CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H12N3O9P/c11-1-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h2,5-7,9,14-15H,3H2,(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
別名:5-cyano-UMP
定義日:2007-12-14
最終更新日:2020-06-17
識別子（ID）:5-cyanouridine 5'-(dihydrogen phosphate)
CNX
CNX
表記:heptanenitrile
組成式:C7 H13 N
SMILES:N#CCCCCCC
InChi:InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3
別名:1-cyanohexane
定義日:2008-06-04
最終更新日:2020-06-17
識別子（ID）:heptanenitrile
CO1
CO1
表記:17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL
組成式:C27 H44 O2
SMILES:OC4CC3=CCC5C2C(C(C(CCC1OC1(C)C)C)CC2)(C)CCC5C3(C)CC4
InChi:InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1
別名:24,25(S)-EPOXYCHOLESTEROL
定義日:2003-05-13
最終更新日:2020-06-17
識別子（ID）:(3beta,14beta,24S)-24,25-epoxycholest-5-en-3-ol
MDW
MDW
表記:(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE
組成式:C18 H20 N2 O7 S
SMILES:O=S(=O)(c1ccc(OC)cc1)N3C(c2c(cc(O)c(OC)c2)CC3)C(=O)NO
InChi:InChI=1S/C18H20N2O7S/c1-26-12-3-5-13(6-4-12)28(24,25)20-8-7-11-9-15(21)16(27-2)10-14(11)17(20)18(22)19-23/h3-6,9-10,17,21,23H,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1
別名:6-HYDROXY-7-METHOXY-2-(4-METHOXY-BENZENESULFONYL)-1,2,3,4,-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID HYDROXYAMIDE
定義日:2006-02-09
最終更新日:2020-06-17
識別子（ID）:(1R)-N,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
COK
COK
表記:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
組成式:C23 H40 N7 O17 P3 S2
SMILES:O=C(NCCSSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C23H40N7O17P3S2/c1-23(2,18(34)21(35)26-4-3-14(32)25-5-7-51-52-8-6-31)10-44-50(41,42)47-49(39,40)43-9-13-17(46-48(36,37)38)16(33)22(45-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,31,33-34H,3-10H2,1-2H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
別名:S-(THIOETHYLHYDROXY)COENZYME A
定義日:2006-03-22
最終更新日:2020-06-17
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)disulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
ME8
ME8
表記:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate
組成式:C15 H23 N6 O8 P S
SMILES:O=P(OC(=O)C(N)CCSC)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C15H23N6O8PS/c1-31-3-2-7(16)15(24)29-30(25,26)27-4-8-10(22)11(23)14(28-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
別名:L-methionine-AMP
定義日:2009-10-30
最終更新日:2020-06-17
識別子（ID）:5'-O-[(S)-{[(2S)-2-amino-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosine
COP
COP
表記:N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID
組成式:C27 H27 N9 O6
SMILES:O=C(O)c1ccccc1C(=O)NCCCC(C(=O)O)NC(=O)c2ccc(cc2)NCc3nc4c(nc3)nc(nc4N)N
InChi:InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)/t19-/m0/s1
別名:PT523
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:2-{[(4S)-4-carboxy-4-{[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]amino}butyl]carbamoyl}benzoic acid
COX
COX
表記:4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE
組成式:C16 H14 N2 O3 S
SMILES:O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3
InChi:InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
別名:VALDECOXIB
定義日:2005-09-02
最終更新日:2020-06-17
識別子（ID）:4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
MEL
MEL
表記:[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
組成式:C22 H31 N5 O4
SMILES:O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)O)C2CCCCC2)CC3
InChi:InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
別名:MELAGATRAN (ASTRA-ZENECA)
定義日:2001-10-23
最終更新日:2020-06-17
識別子（ID）:N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine
CP4
CP4
表記:BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL
組成式:C24 H24 Cl2 N4 O4
SMILES:Clc1cc2cc(nc2cc1)C(=O)NCCOCCOCCNC(=O)c4cc3cc(Cl)ccc3n4
InChi:InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32)
別名:CP-526423
定義日:2000-03-22
最終更新日:2020-06-17
識別子（ID）:N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(5-chloro-1H-indole-2-carboxamide)
CP6
CP6
表記:5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE
組成式:C12 H13 Cl N4
SMILES:Clc2ccc(c1c(nc(nc1CC)N)N)cc2
InChi:InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
別名:PYRIMETHAMINE
定義日:2003-02-07
最終更新日:2020-06-17
識別子（ID）:5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CP8
CP8
表記:2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID
組成式:C19 H20 N2 O4 S
SMILES:O=C2N(Cc1ccccc1)CC(OC2)c3cc4c(cc3)N(C)S(=O)(=O)C4
InChi:InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1
別名:CP-271485
定義日:2003-12-10
最終更新日:2020-06-17
識別子（ID）:(6S)-4-benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl)morpholin-3-one
CPF
CPF
表記:1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
組成式:C17 H18 F N3 O3
SMILES:O=C(O)C=3C(=O)c1c(cc(c(F)c1)N2CCNCC2)N(C=3)C4CC4
InChi:InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
別名:ciprofloxacin
定義日:2003-04-09
最終更新日:2020-06-17
識別子（ID）:1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
MF3
MF3
表記:2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID
組成式:C5 H8 F3 N O2 S
SMILES:FC(F)(F)SCCC(N)C(=O)O
InChi:InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
別名:TRIFLUOROMETHIONINE
定義日:1999-07-27
最終更新日:2020-06-17
識別子（ID）:trifluoro-L-methionine
MF8
MF8
表記:Metformin
組成式:C4 H11 N5
SMILES:CN(C)C(=N)NC(N)=N
InChi:InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
別名:N,N-Dimethylimidodicarbonimidic diamide
定義日:2016-05-25
最終更新日:2020-06-17
公開日:2017-06-07
識別子（ID）:3-carbamimidoyl-1,1-dimethyl-guanidine
CPS
CPS
表記:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
組成式:C32 H58 N2 O7 S
SMILES:[O-]S(=O)(=O)CCC[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
InChi:InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
別名:CHAPS
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:3-[dimethyl(3-{[(3beta,5alpha,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonate
CPV
CPV
表記:5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID
組成式:C15 H29 N O3
SMILES:O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1
InChi:InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1
別名:(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid
CQ4
CQ4
表記:Chromate
組成式:Cr O4
SMILES:[O-][Cr]([O-])(=O)=O
InChi:InChI=1S/Cr.4O/q
別名:Dioxido(dioxo)chromium
定義日:2015-02-10
最終更新日:2020-06-17
公開日:2016-09-14
識別子（ID）:dioxido(dioxo)chromium
MG9
MG9
表記:2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
組成式:C21 H20 F6 N4 O3 S
SMILES:O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3
InChi:InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1
別名:AMG-3969
定義日:2013-10-02
最終更新日:2020-06-17
公開日:2014-05-07
識別子（ID）:2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
MGE
MGE
表記:(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
組成式:C38 H72 O10
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCC
InChi:InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1
別名:MONOGALACTOSYL-DIACYLGLYCEROL
定義日:2005-10-03
最終更新日:2020-06-17
識別子（ID）:(1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl hexadecanoate

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