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AMJ
AMJ
Name:N~2~-acetyl-N-benzyl-O-methyl-L-serinamide
Formula:C13 H18 N2 O3
SMILES:O=C(NC(C(=O)NCc1ccccc1)COC)C
InChi:InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1
Definition date:2009-07-30
Last modified:2011-06-04
Identifier:N~2~-acetyl-N-benzyl-O-methyl-L-serinamide
AMO
AMO
Name:ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE
Formula:C14 H19 N6 O10 P
SMILES:O=C(O)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1
Definition date:2000-11-16
Last modified:2011-06-04
Identifier:5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine
AN1
AN1
Name:3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID
Formula:C18 H16 O2
SMILES:O=C(O)CCc2c3c(c(c1c2cccc1)C)cccc3
InChi:InChI=1S/C18H16O2/c1-12-13-6-2-4-8-15(13)17(10-11-18(19)20)16-9-5-3-7-14(12)16/h2-9H,10-11H2,1H3,(H,19,20)
Definition date:2002-06-20
Last modified:2011-06-04
Identifier:3-(10-methylanthracen-9-yl)propanoic acid
AN9
AN9
Name:1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE
Formula:C28 H36 N4 O4
SMILES:O=C(Nc3c2C(=O)c1cccc(c1C(=O)c2ccc3)NC(=O)CCN(CC)CC)CCN(CC)CC
InChi:InChI=1S/C28H36N4O4/c1-5-31(6-2)17-15-23(33)29-21-13-9-11-19-25(21)27(35)20-12-10-14-22(26(20)28(19)36)30-24(34)16-18-32(7-3)8-4/h9-14H,5-8,15-18H2,1-4H3,(H,29,33)(H,30,34)
Definition date:2004-10-26
Last modified:2011-06-04
Identifier:N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis[3-(diethylamino)propanamide] (non-preferred name)
ANW
ANW
Name:2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
Formula:C16 H14 N2 O4
SMILES:O=C(O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C
InChi:InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
Definition date:2009-10-09
Last modified:2011-06-04
Identifier:2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
AO5
AO5
Name:N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE
Formula:C15 H22 Cl N3 O3 S
SMILES:O=C(c1cc(Cl)ccc1)NNC(=O)C(O)C(N)CCSC(C)C
InChi:InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1
Definition date:2003-11-10
Last modified:2011-06-04
Identifier:3-amino-1-{2-[(3-chlorophenyl)carbonyl]hydrazino}-3,4-dideoxy-5-S-(1-methylethyl)-5-thio-D-threo-pentose
APA
APA
Name:(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
Formula:C10 H12 N2 O3
SMILES:O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N
InChi:InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
APG
APG
Name:ATROLACTIC ACID (2-PHENYL-LACTIC ACID)
Formula:C9 H10 O3
SMILES:O=C(O)C(O)(c1ccccc1)C
InChi:InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-2-hydroxy-2-phenylpropanoic acid
APM
APM
Name:M-AMIDINOPHENYL-3-ALANINE
Formula:C10 H13 N3 O2
SMILES:O=C(O)C(N)Cc1cc(ccc1)C(=[N@H])N
InChi:InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-carbamimidoyl-L-phenylalanine
APO
APO
Name:D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID
Formula:C3 H8 N O5 P
SMILES:O=C(O)C(N)CP(=O)(O)O
InChi:InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
Definition date:2002-03-27
Last modified:2011-06-04
Identifier:3-phosphono-D-alanine
APS
APS
Name:9-HYDROXYPROPYLADENINE, S-ISOMER
Formula:C8 H11 N5 O
SMILES:n1c(c2ncn(c2nc1)CC(O)C)N
InChi:InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m0/s1
Definition date:2000-05-24
Last modified:2011-06-04
Identifier:(2S)-1-(6-amino-9H-purin-9-yl)propan-2-ol
AQS
AQS
Name:N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDE
Formula:C20 H25 N3 O4 S
SMILES:O=S(=O)(N(CCC[NH3+])CCC[NH3+])c3ccc2C(=O)c1c(cccc1)C(=O)c2c3
InChi:InChI=1S/C20H23N3O4S/c21-9-3-11-23(12-4-10-22)28(26,27)14-7-8-17-18(13-14)20(25)16-6-2-1-5-15(16)19(17)24/h1-2,5-8,13H,3-4,9-12,21-22H2/p+2
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3,3'-{[(9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfonyl]imino}dipropan-1-aminium
KOU
KOU
Name:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine
Formula:C11 H15 N2 O8 P
SMILES:O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CO
InChi:InChI=1S/C11H15N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,9,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/b13-3+/t9-/m0/s1
Definition date:2010-11-09
Last modified:2011-06-04
Identifier:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine
KR1
KR1
Name:3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile
Formula:C22 H20 F N5 O3
SMILES:CC(C)C1=C(N(Cc2cc(N)nc(F)c2)C(=O)NC1=O)C(=O)c3cc(C)cc(c3)C#N
InChi:InChI=1S/C22H20FN5O3/c1-11(2)18-19(20(29)15-5-12(3)4-13(6-15)9-24)28(22(31)27-21(18)30)10-14-7-16(23)26-17(25)8-14/h4-8,11H,10H2,1-3H3,(H2,25,26)(H,27,30,31)
Definition date:2010-01-13
Last modified:2011-06-04
Identifier:3-[3-[(2-azanyl-6-fluoro-pyridin-4-yl)methyl]-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile
KRP
KRP
Name:3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
Formula:C19 H21 N3 O3
SMILES:CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:InChI=1S/C19H21N3O3/c1-5-6-22-16(15(11(2)3)18(24)21-19(22)25)17(23)14-8-12(4)7-13(9-14)10-20/h7-9,11H,5-6H2,1-4H3,(H,21,24,25)
Definition date:2010-01-15
Last modified:2011-06-04
Identifier:3-(2,6-dioxo-5-propan-2-yl-3-propyl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile
KRV
KRV
Name:3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
Formula:C18 H19 N3 O3
SMILES:CCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
InChi:InChI=1S/C18H19N3O3/c1-5-21-15(14(10(2)3)17(23)20-18(21)24)16(22)13-7-11(4)6-12(8-13)9-19/h6-8,10H,5H2,1-4H3,(H,20,23,24)
Definition date:2010-01-15
Last modified:2011-06-04
Identifier:3-(3-ethyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile
KS5
KS5
Name:1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C17 H16 N6
SMILES:n1c(c2c(nc1)n(nc2c4cc3cccnc3cc4)C(C)C)N
InChi:InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21)
Definition date:2008-09-26
Last modified:2011-06-04
Identifier:1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
KU8
KU8
Name:4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one
Formula:C21 H21 F N4 O2
SMILES:O=C(N1CCNCCC1)c2cc(ccc2F)CC4=NNC(=O)c3ccccc34
InChi:InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)
Definition date:2008-01-31
Last modified:2011-06-04
Identifier:4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one
FL2
FL2
Name:FLURBIPROFEN METHYL ESTER
Formula:C16 H15 F O2
SMILES:Fc2cc(ccc2c1ccccc1)C(C(=O)OC)C
InChi:InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3/t11-/m0/s1
Definition date:2001-01-02
Last modified:2011-06-04
Identifier:methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate
FLC
FLC
Name:CITRATE ANION
Formula:C6 H5 O7
SMILES:O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
InChi:InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-hydroxypropane-1,2,3-tricarboxylate
FLP
FLP
Name:FLURBIPROFEN
Formula:C15 H13 F O2
SMILES:Fc2cc(ccc2c1ccccc1)C(C(=O)O)C
InChi:InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-2-(2-fluorobiphenyl-4-yl)propanoic acid
FLS
FLS
Name:6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:C18 H18 F2 N4 O4 S
SMILES:O=S(=O)(C)CC(Nc1ncc3c(n1)N(C(=O)C(Oc2ccc(F)cc2F)=C3)C)C
InChi:InChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m1/s1
Definition date:2008-12-29
Last modified:2011-06-04
Identifier:6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
FLY
FLY
Name:6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:C17 H16 F2 N4 O2
SMILES:Fc3ccc(OC2=Cc1c(nc(nc1)NC(C)C)N(C2=O)C)c(F)c3
InChi:InChI=1S/C17H16F2N4O2/c1-9(2)21-17-20-8-10-6-14(16(24)23(3)15(10)22-17)25-13-5-4-11(18)7-12(13)19/h4-9H,1-3H3,(H,20,21,22)
Definition date:2008-12-30
Last modified:2011-06-04
Identifier:6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one
FMI
FMI
Name:FE-(4-MESOPORPHYRINONE)-R-ISOMER
Formula:C34 H36 Fe N4 O5
SMILES:O=C(O)CCC=1C2=Cc4c(c(c3C=C8[N+]6=C(C=C7[N+]5=C(C=C(C=1C)N2[Fe]56n34)C(=C7C)CC)C(=O)C8(C)CC)C)CCC(=O)O
InChi:InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)24-14-29-33(43)34(6,8-2)30(38-29)16-25-19(5)22(10-12-32(41)42)28(37-25)15-27-21(9-11-31(39)40)18(4)23(36-27)13-26(20)35-24
Definition date:2004-02-18
Last modified:2011-06-04
Identifier:{3,3'-[(7R)-7,13-diethyl-3,7,12,17-tetramethyl-8-oxo-7,8-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron(2+)
FMK
FMK
Name:6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:C18 H16 F2 N8 O2
SMILES:Fc4ccc(OC=2C(=O)N(c1nc(ncc1C=2)NC(Cn3ncnn3)C)C)c(F)c4
InChi:InChI=1S/C18H16F2N8O2/c1-10(8-28-23-9-22-26-28)24-18-21-7-11-5-15(17(29)27(2)16(11)25-18)30-14-4-3-12(19)6-13(14)20/h3-7,9-10H,8H2,1-2H3,(H,21,24,25)/t10-/m0/s1
Definition date:2008-12-31
Last modified:2011-06-04
Identifier:6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one

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數據於2024-08-14公開中

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