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CFZ
CFZ
表記:2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
組成式:C9 H13 F N3 O7 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)C2O
InChi:InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
定義日:2010-04-13
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
CG
CG
表記:4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE
組成式:C11 H14 N6
SMILES:[N@H]=C(c1cccc2c1CCC/2=N/NC(=[N@H])N)N
InChi:InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+
定義日:2001-03-13
最終更新日:2011-06-04
識別子（ID）:(2E)-2-(4-carbamimidoyl-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide
CG1
CG1
表記:5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine
組成式:C11 H16 N5 O8 P
SMILES:O=P(O)(OC)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C11H16N5O8P/c1-22-25(20,21)23-2-4-6(17)7(18)10(24-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
定義日:2008-03-26
最終更新日:2011-06-04
識別子（ID）:5'-O-[(R)-hydroxy(methoxy)phosphoryl]guanosine
CG2
CG2
表記:CYTIDYL-2'-5'-PHOSPHO-GUANOSINE
組成式:C19 H25 N8 O12 P
SMILES:O=C1N=C(N)C=CN1C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O
InChi:InChI=1S/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)17-13(11(30)6(3-28)37-17)39-40(34,35)36-4-7-10(29)12(31)16(38-7)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1
定義日:2003-06-28
最終更新日:2011-06-04
識別子（ID）:[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (R)-phosphate (non-preferred name)
CG3
CG3
表記:HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM
組成式:C6 H6 N O3
SMILES:O=[N+](O)c1ccccc1O
InChi:InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H-,8,9,10)/p+1
定義日:2009-07-08
最終更新日:2011-06-04
識別子（ID）:hydroxy(2-hydroxyphenyl)oxoammonium
CGP
CGP
表記:2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE
組成式:C19 H25 N8 O10 P
SMILES:NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O3
InChi:InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)/t8-,9?,10?,11+,13+,14?/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl [(2S,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
R8D
R8D
表記:3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
組成式:C20 H12 Cl2 N4 O2
SMILES:N#Cc4cc(Oc3c(Cl)ccc(OCc2nnc1ncccc12)c3)cc(Cl)c4
InChi:InChI=1S/C20H12Cl2N4O2/c21-13-6-12(10-23)7-15(8-13)28-19-9-14(3-4-17(19)22)27-11-18-16-2-1-5-24-20(16)26-25-18/h1-9H,11H2,(H,24,25,26)
定義日:2008-07-16
最終更新日:2011-06-04
識別子（ID）:3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
R8E
R8E
表記:3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile
組成式:C20 H13 Cl2 N5 O2
SMILES:N#Cc4cc(Oc3c(Cl)ccc(OCc2nnc1nc(ccc12)N)c3)cc(Cl)c4
InChi:InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)
定義日:2008-07-16
最終更新日:2011-06-04
識別子（ID）:3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile
CH
CH
表記:N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE
組成式:C9 H15 N3 O8 P
SMILES:O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5'-cytidylic acid
CH1
CH1
表記:3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE
組成式:C9 H16 N3 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2
InChi:InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
定義日:2002-10-24
最終更新日:2011-06-04
識別子（ID）:3'-deoxycytidine 5'-(tetrahydrogen triphosphate)
CHB
CHB
表記:3-CHLORO-4-HYDROXYBENZOIC ACID
組成式:C7 H5 Cl O3
SMILES:Clc1cc(C(=O)O)ccc1O
InChi:InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-chloro-4-hydroxybenzoic acid
CHI
CHI
表記:5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE
組成式:C23 H23 Cl F N3 O3
SMILES:O=C(N1CCC(O)CC1)C(NC(=O)c3cc2cc(Cl)ccc2n3)Cc4ccc(F)cc4
InChi:InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
定義日:1999-10-18
最終更新日:2011-06-04
識別子（ID）:5-chloro-N-[(1S)-1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CHX
CHX
表記:CYCLOHEXANE
組成式:C6 H12
SMILES:C1CCCCC1
InChi:InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:cyclohexane
CID
CID
表記:6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME
組成式:C19 H12 Cl3 N3 O S
SMILES:Clc1ccc(cc1Cl)CON=Cc3n4ccsc4nc3c2ccc(Cl)cc2
InChi:InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
定義日:2004-11-17
最終更新日:2011-06-04
識別子（ID）:6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime
CII
CII
表記:N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
組成式:C17 H25 N3 O2
SMILES:O=C(Nc1ccncc1)C(NC(=O)C2CCCCC2)C(C)C
InChi:InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1
定義日:2008-08-12
最終更新日:2011-06-04
識別子（ID）:N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
CIN
CIN
表記:4-CARBOXYCINNAMIC ACID
組成式:C10 H8 O4
SMILES:O=C(O)c1ccc(C=CC(=O)O)cc1
InChi:InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-[(E)-2-carboxyethenyl]benzoic acid
RA2
RA2
表記:1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE
組成式:C18 H26 N2 O5
SMILES:O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CO)CO)NC(CC)CC
InChi:InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid
CIP
CIP
表記:INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE
組成式:C7 H13 O7 P
SMILES:O=P1(OC2C(C1)C(O)C(O)C(O)C2O)O
InChi:InChI=1S/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3+,4-,5+,6-,7-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R,3aR,4S,5R,6S,7R,7aR)octahydro-1,2-benzoxaphosphole-2,4,5,6,7-pentol 2-oxide
CIW
CIW
表記:5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
組成式:C17 H12 Cl N O5
SMILES:Clc1cc2c(cc1)N(C(=O)C2)Cc3ccc4OCOc4c3C(=O)O
InChi:InChI=1S/C17H12ClNO5/c18-11-2-3-12-10(5-11)6-14(20)19(12)7-9-1-4-13-16(24-8-23-13)15(9)17(21)22/h1-5H,6-8H2,(H,21,22)
定義日:2010-06-25
最終更新日:2011-06-04
識別子（ID）:5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
RAI
RAI
表記:1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE
組成式:C14 H18 N4 O5
SMILES:O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CO)CO)NC(=[N@H])N
InChi:InChI=1S/C14H18N4O5/c15-13(16)17-9-5-8(12(22)23)1-2-10(9)18-11(21)3-4-14(18,6-19)7-20/h1-2,5,19-20H,3-4,6-7H2,(H,22,23)(H4,15,16,17)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-carbamimidamidobenzoic acid
RAJ
RAJ
表記:N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
組成式:C29 H29 F3 N6 O
SMILES:FC(F)(F)c1cc(cc(c1)NC(=O)c2cc(c(cc2)C)Nc3ncccc3c4ncncc4)CCCN(C)C
InChi:InChI=1S/C29H29F3N6O/c1-19-8-9-21(16-26(19)37-27-24(7-4-11-34-27)25-10-12-33-18-35-25)28(39)36-23-15-20(6-5-13-38(2)3)14-22(17-23)29(30,31)32/h4,7-12,14-18H,5-6,13H2,1-3H3,(H,34,37)(H,36,39)
定義日:2007-01-31
最終更新日:2011-06-04
識別子（ID）:N-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide
RAL
RAL
表記:RALOXIFENE
組成式:C28 H27 N O4 S
SMILES:O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCCCC4)cc5
InChi:InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone
RAN
RAN
表記:PHOSPHORIC ACID MONO-[3,4,6-TRIHYDROXY-5-(1-HYDROXY-ETHYLAMINO)-TETRAHYDRO-PYRAN-2-YLMETHYL] ESTER
組成式:C8 H18 N O9 P
SMILES:O=P(O)(O)OCC1OC(O)C(NC(O)C)C(O)C1O
InChi:InChI=1S/C8H18NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h3-13H,2H2,1H3,(H2,14,15,16)/t3?,4-,5-,6-,7-,8+/m1/s1
定義日:1999-11-01
最終更新日:2011-06-04
識別子（ID）:2-deoxy-2-{[(1R)-1-hydroxyethyl]amino}-6-O-phosphono-alpha-D-glucopyranose
RB1
RB1
表記:3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL
組成式:C16 H19 N5 O
SMILES:n1c(c2c(nc1)n(nc2Cc3cccc(O)c3)C(C)(C)C)N
InChi:InChI=1S/C16H19N5O/c1-16(2,3)21-15-13(14(17)18-9-19-15)12(20-21)8-10-5-4-6-11(22)7-10/h4-7,9,22H,8H2,1-3H3,(H2,17,18,19)
定義日:2005-11-15
最終更新日:2011-06-04
識別子（ID）:3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol
RBC
RBC
表記:4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-NAPHTHYLMETHOXY)PIPERIDIN-4-YL]BENZYL 2-CHLOROBENZOATE
組成式:C32 H32 Cl N O4
SMILES:Clc1ccccc1C(=O)OCc2ccc(cc2)C5C(CNCC5OCc4cc3ccccc3cc4)COC
InChi:InChI=1S/C32H32ClNO4/c1-36-21-27-17-34-18-30(37-20-23-12-13-24-6-2-3-7-26(24)16-23)31(27)25-14-10-22(11-15-25)19-38-32(35)28-8-4-5-9-29(28)33/h2-16,27,30-31,34H,17-21H2,1H3/t27-,30-,31-/m0/s1
定義日:2003-06-25
最終更新日:2011-06-04
識別子（ID）:4-[(3S,4R,5R)-3-(methoxymethyl)-5-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate

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