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48B
48B
Name:2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide
Formula:C23 H17 Cl F N5 O2
SMILES:Clc1ccccc1C(=O)Nc2ccc(cc2)Nc3nc(ncc3F)Nc4ccc(O)cc4
InChi:InChI=1S/C23H17ClFN5O2/c24-19-4-2-1-3-18(19)22(32)28-15-7-5-14(6-8-15)27-21-20(25)13-26-23(30-21)29-16-9-11-17(31)12-10-16/h1-13,31H,(H,28,32)(H2,26,27,29,30)
Definition date:2009-04-15
Last modified:2011-06-04
Identifier:2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide
48D
48D
Name:(4E,6S,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
Formula:C17 H28 O3
SMILES:CO[CH]1C=CCCCCC(=O)CCC(=C[CH](C)[CH]1O)C
InChi:InChI=1S/C17H28O3/c1-13-10-11-15(18)8-6-4-5-7-9-16(20-3)17(19)14(2)12-13/h7,9,12,14,16-17,19H,4-6,8,10-11H2,1-3H3/b9-7+,13-12+/t14-,16-,17-/m0/s1
Definition date:2010-02-04
Last modified:2011-06-04
Identifier:(4E,6S,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethyl-cyclotetradeca-4,9-dien-1-one
4A3
4A3
Name:4-AMINO-3-HYDROXYBENZOIC ACID
Formula:C7 H7 N O3
SMILES:O=C(O)c1cc(O)c(N)cc1
InChi:InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)
Definition date:2006-06-21
Last modified:2011-06-04
Identifier:4-amino-3-hydroxybenzoic acid
4AC
4AC
Name:N(4)-ACETYLCYTIDINE-5'-MONOPHOSPHATE
Formula:C11 H16 N3 O9 P
SMILES:O=C(NC1=NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C11H16N3O9P/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(23-10)4-22-24(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H2,19,20,21)(H,12,13,15,18)/t6-,8-,9-,10-/m1/s1
Definition date:2001-01-18
Last modified:2011-06-04
Identifier:N-acetylcytidine 5'-(dihydrogen phosphate)
4AL
4AL
Name:[4-(aminomethyl)phenyl]methanol
Formula:C8 H11 N O
SMILES:NCc1ccc(CO)cc1
InChi:InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2
Definition date:2009-11-05
Last modified:2011-06-04
Identifier:[4-(aminomethyl)phenyl]methanol
4AP
4AP
Name:4-AMINOPYRIDINE
Formula:C5 H7 N2
SMILES:Nc1cc[nH+]cc1
InChi:InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/p+1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-aminopyridinium
4AZ
4AZ
Name:4-(aminomethyl)benzoic acid
Formula:C8 H9 N O2
SMILES:NCc1ccc(cc1)C(O)=O
InChi:InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
Definition date:2009-11-04
Last modified:2011-06-04
Identifier:4-(aminomethyl)benzoic acid
4BD
4BD
Name:5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine
Formula:C11 H17 F2 N2 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)C(F)(F)P(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:InChI=1S/C11H17F2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-29(19,20)11(12,13)30(21,22)28-31(23,24)25/h3,6-8,16H,2,4H2,1H3,(H,19,20)(H,21,22)(H,14,17,18)(H2,23,24,25)/t6-,7+,8+/m0/s1
Definition date:2009-03-20
Last modified:2011-06-04
Identifier:5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine
4BE
4BE
Name:4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
Formula:C14 H9 Br3 N2 O3
SMILES:Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2ccc(Br)cc2
InChi:InChI=1S/C14H9Br3N2O3/c15-9-3-1-7(2-4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+
Definition date:2008-07-16
Last modified:2011-06-04
Identifier:4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
4BH
4BH
Name:4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL
Formula:C13 H15 Cl N4 O2
SMILES:Clc1cc(c(O)cc1O)c2c(cnn2)N3CCNCC3
InChi:InChI=1S/C13H15ClN4O2/c14-9-5-8(11(19)6-12(9)20)13-10(7-16-17-13)18-3-1-15-2-4-18/h5-7,15,19-20H,1-4H2,(H,16,17)
Definition date:2006-01-18
Last modified:2011-06-04
Identifier:4-chloro-6-(4-piperazin-1-yl-1H-pyrazol-5-yl)benzene-1,3-diol
4BM
4BM
Name:N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
Formula:C16 H14 F3 I N2 O4
SMILES:O=C(NOCC(O)CO)c1c(c(F)c(F)cc1)Nc2ccc(I)cc2F
InChi:InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
Definition date:2008-10-13
Last modified:2011-06-04
Identifier:N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
4BO
4BO
Name:(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
Formula:C17 H18 N2 O4
SMILES:O=C(O)CC(N)C(=O)Nc2ccc(OCc1ccccc1)cc2
InChi:InChI=1S/C17H18N2O4/c18-15(10-16(20)21)17(22)19-13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9,15H,10-11,18H2,(H,19,22)(H,20,21)/t15-/m0/s1
Definition date:2008-03-18
Last modified:2011-06-04
Identifier:N-[4-(benzyloxy)phenyl]-L-alpha-asparagine
4BS
4BS
Name:4-amino-N-[4-(benzyloxy)phenyl]butanamide
Formula:C17 H20 N2 O2
SMILES:O=C(Nc2ccc(OCc1ccccc1)cc2)CCCN
InChi:InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)
Definition date:2008-03-17
Last modified:2011-06-04
Identifier:4-amino-N-[4-(benzyloxy)phenyl]butanamide
4BU
4BU
Name:(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
Formula:C19 H22 N2 O5
SMILES:O=C(O)C(N)CCC(=O)Nc2ccc(OCC(O)c1ccccc1)cc2
InChi:InChI=1S/C19H22N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16-17,22H,10-12,20H2,(H,21,23)(H,24,25)/t16-,17+/m0/s1
Definition date:2008-03-17
Last modified:2011-06-04
Identifier:N-{4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl}-L-glutamine
4BX
4BX
Name:3-(1H-benzimidazol-2-yl)propanoic acid
Formula:C10 H10 N2 O2
SMILES:O=C(O)CCc2nc1ccccc1n2
InChi:InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:3-(1H-benzimidazol-2-yl)propanoic acid
4BZ
4BZ
Name:4-(HYDROXYMETHYL)BENZAMIDINE
Formula:C8 H10 N2 O
SMILES:OCc1ccc(C(=[N@H])N)cc1
InChi:InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)
Definition date:2004-01-26
Last modified:2011-06-04
Identifier:4-(hydroxymethyl)benzenecarboximidamide
4CB
4CB
Name:4-CARBOXYPHENYLBORONIC ACID
Formula:C7 H7 B O4
SMILES:O=C(O)c1ccc(B(O)O)cc1
InChi:InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
Definition date:2001-11-20
Last modified:2011-06-04
Identifier:4-(dihydroxyboranyl)benzoic acid
4CD
4CD
Name:4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
Formula:C18 H18 Cl N O3
SMILES:O=C(c1cc(Cl)c(O)cc1O)N3C(c2c(cccc2)C)CCC3
InChi:InChI=1S/C18H18ClNO3/c1-11-5-2-3-6-12(11)15-7-4-8-20(15)18(23)13-9-14(19)17(22)10-16(13)21/h2-3,5-6,9-10,15,21-22H,4,7-8H2,1H3/t15-/m1/s1
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:(5-chloro-2,4-dihydroxyphenyl)[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
4CH
4CH
Name:4-chlorophenol
Formula:C6 H5 Cl O
SMILES:Clc1ccc(O)cc1
InChi:InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
Definition date:2009-01-13
Last modified:2011-06-04
Identifier:4-chlorophenol
4CL
4CL
Name:4-CHLOROBENZENE-1,2-DIOL
Formula:C6 H5 Cl O2
SMILES:Clc1cc(O)c(O)cc1
InChi:InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
Definition date:2007-06-18
Last modified:2011-06-04
Identifier:4-chlorobenzene-1,2-diol
4CP
4CP
Name:2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE
Formula:C18 H20 Cl N5 O2 S
SMILES:Clc2ccc(SCC(=O)NC(C(=O)N)Cc1ccc(NC(=[N@H])N)cc1)cc2
InChi:InChI=1S/C18H20ClN5O2S/c19-12-3-7-14(8-4-12)27-10-16(25)24-15(17(20)26)9-11-1-5-13(6-2-11)23-18(21)22/h1-8,15H,9-10H2,(H2,20,26)(H,24,25)(H4,21,22,23)/t15-/m0/s1
Definition date:2005-07-04
Last modified:2011-06-04
Identifier:4-carbamimidamido-Nalpha-{[(4-chlorophenyl)sulfanyl]acetyl}-L-phenylalaninamide
4CT
4CT
Name:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
Formula:C18 H20 Cl N5 O S
SMILES:Clc4ccc(SCC3CN(Cc2cnc1c2ncnc1N)CC3O)cc4
InChi:InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)/t12-,15+/m1/s1
Definition date:2010-07-29
Last modified:2011-06-04
Identifier:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
6EA
6EA
Name:(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE
Formula:C24 H21 N5 O
SMILES:n1ccc(cc1)c2nc5c(cc2)c(OCC(N)Cc4c3ccccc3nc4)cnc5
InChi:InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1
Definition date:2005-12-23
Last modified:2011-06-04
Identifier:(2S)-1-(1H-indol-3-yl)-3-[(2-pyridin-4-yl-1,7-naphthyridin-5-yl)oxy]propan-2-amine
6HA
6HA
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C11 H16 N5 O6 P
SMILES:O=P(O)(O)OCC3OCC(n1cnc2c(ncnc12)N)CC3O
InChi:InChI=1S/C11H16N5O6P/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(17)8(21-2-6)3-22-23(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
6HC
6HC
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYTOSIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C10 H16 N3 O7 P
SMILES:O=C1N=C(N)C=CN1C2CC(O)C(OC2)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O7P/c11-9-1-2-13(10(15)12-9)6-3-7(14)8(19-4-6)5-20-21(16,17)18/h1-2,6-8,14H,3-5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-,8+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol

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數據於2024-08-07公開中

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