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C21
C21
Name:THIOPHENE-2-CARBOXYLIC ACID
Formula:C5 H4 O2 S
SMILES:O=C(O)c1sccc1
InChi:InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
Definition date:2006-06-21
Last modified:2011-06-04
Identifier:thiophene-2-carboxylic acid
C24
C24
Name:3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER
Formula:C27 H29 N7 O3
SMILES:O=C(OCC)CCN(c1ncccc1)C(=O)c4ccc2c(nc(n2C)CNc3ccc(C(=[N@H])N)cc3)c4
InChi:InChI=1S/C27H29N7O3/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)
Definition date:2002-01-18
Last modified:2011-06-04
Identifier:ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate
C28
C28
Name:N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE
Formula:C19 H26 F4 N4 O4 S
SMILES:O=S(=O)(N1CCOCC1)CC(C(=O)NC2(CN)CC2)NC(c3ccc(F)cc3)C(F)(F)F
InChi:InChI=1S/C19H26F4N4O4S/c20-14-3-1-13(2-4-14)16(19(21,22)23)25-15(17(28)26-18(12-24)5-6-18)11-32(29,30)27-7-9-31-10-8-27/h1-4,15-16,25H,5-12,24H2,(H,26,28)/t15-,16-/m0/s1
Definition date:2006-02-03
Last modified:2011-06-04
Identifier:N-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide
C2B
C2B
Name:1-(4-CHLOROPHENYL)METHANAMINE
Formula:C7 H8 Cl N
SMILES:Clc1ccc(cc1)CN
InChi:InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
Definition date:2007-06-08
Last modified:2011-06-04
Identifier:1-(4-chlorophenyl)methanamine
C2D
C2D
Name:6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL
Formula:C22 H31 Cl2 N5 O S
SMILES:ClC1N(C(O)C(=NC1)NCCC2NCCCC2)CCNCc3c4cc(Cl)ccc4sc3
InChi:InChI=1S/C22H31Cl2N5OS/c23-16-4-5-19-18(11-16)15(14-31-19)12-25-9-10-29-20(24)13-28-21(22(29)30)27-8-6-17-3-1-2-7-26-17/h4-5,11,14,17,20,22,25-26,30H,1-3,6-10,12-13H2,(H,27,28)/t17-,20-,22?/m1/s1
Definition date:2005-07-27
Last modified:2011-06-04
Identifier:(2R,6S)-6-chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-piperidin-2-yl]ethyl}amino)-1,2,5,6-tetrahydropyrazin-2-ol
C2L
C2L
Name:5-METHYL-3'-O-METHOXYETHYL CYTIDINE 5'-MONOPHOSPHATE
Formula:C13 H22 N3 O9 P
SMILES:O=C1N=C(N)C(=CN1C2OC(C(OCCOC)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C13H22N3O9P/c1-7-5-16(13(18)15-11(7)14)12-9(17)10(23-4-3-22-2)8(25-12)6-24-26(19,20)21/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1
Definition date:2004-10-29
Last modified:2011-06-04
Identifier:3'-O-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate)
C2P
C2P
Name:CYTIDINE-2'-MONOPHOSPHATE
Formula:C9 H14 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2OP(=O)(O)O)CO
InChi:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2'-cytidylic acid
C2S
C2S
Name:CYTIDINE-5'-DITHIOPHOSPHORATE
Formula:C9 H14 N3 O5 P S2
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)S
InChi:InChI=1S/C9H14N3O5PS2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15,19)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,19,20)/t5-,6+,8+/m0/s1
Definition date:2001-11-02
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-[(dithiophosphono)]cytidine
C2U
C2U
Name:3,5-dichloro-2-hydroxybenzoic acid
Formula:C7 H4 Cl2 O3
SMILES:Clc1cc(Cl)cc(C(=O)O)c1O
InChi:InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
Definition date:2008-01-31
Last modified:2011-06-04
Identifier:3,5-dichloro-2-hydroxybenzoic acid
C31
C31
Name:2'-O-3-AMINOPROPYL CYTIDINE-5'-MONOPHOSPHATE
Formula:C12 H21 N4 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2OCCCN)COP(=O)(O)O
InChi:InChI=1S/C12H21N4O8P/c13-3-1-5-22-10-9(17)7(6-23-25(19,20)21)24-11(10)16-4-2-8(14)15-12(16)18/h2,4,7,9-11,17H,1,3,5-6,13H2,(H2,14,15,18)(H2,19,20,21)/t7-,9-,10-,11-/m1/s1
Definition date:1999-12-02
Last modified:2011-06-04
Identifier:2'-O-(3-aminopropyl)cytidine 5'-(dihydrogen phosphate)
C34
C34
Name:N4-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O7 P
SMILES:O=C1N=C(NC)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O7P/c1-11-8-2-3-13(10(15)12-8)9-4-6(14)7(20-9)5-19-21(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:1994-01-31
Last modified:2011-06-04
Identifier:2'-deoxy-N-methylcytidine 5'-(dihydrogen phosphate)
C36
C36
Name:5-METHYL-5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H17 F N3 O8 P
SMILES:O=C1N=C(N)C(F)(CN1C2OC(C(O)C2)COP(=O)(O)O)CO
InChi:InChI=1S/C10H17FN3O8P/c11-10(4-15)3-14(9(17)13-8(10)12)7-1-5(16)6(22-7)2-21-23(18,19)20/h5-7,15-16H,1-4H2,(H2,12,13,17)(H2,18,19,20)/t5-,6+,7+,10+/m0/s1
Definition date:1995-06-03
Last modified:2011-06-04
Identifier:2'-deoxy-5-fluoro-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
C37
C37
Name:5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 F N3 O7 P
SMILES:FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:InChI=1S/C9H13FN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:1995-06-03
Last modified:2011-06-04
Identifier:2'-deoxy-5-fluorocytidine 5'-(dihydrogen phosphate)
C38
C38
Name:5-IODO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 I N3 O7 P
SMILES:IC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:InChI=1S/C9H13IN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:1997-03-12
Last modified:2011-06-04
Identifier:2'-deoxy-5-iodocytidine 5'-(dihydrogen phosphate)
C3P
C3P
Name:CYTIDINE-3'-MONOPHOSPHATE
Formula:C9 H14 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2O)CO
InChi:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3'-cytidylic acid
C3Q
C3Q
Name:N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide
Formula:C33 H49 N3 O3 S
SMILES:O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)CCC35CC4CC(CC(C3)C4)C5
InChi:InChI=1S/C33H49N3O3S/c1-36(2)30-13-9-12-29-28(30)11-10-14-31(29)40(38,39)35-18-8-6-4-3-5-7-17-34-32(37)15-16-33-22-25-19-26(23-33)21-27(20-25)24-33/h9-14,25-27,35H,3-8,15-24H2,1-2H3,(H,34,37)/t25-,26+,27-,33+
Definition date:2010-10-12
Last modified:2011-06-04
Identifier:N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide
C3Y
C3Y
Name:S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-L-CYSTEINE
Formula:C5 H12 N2 O4 S
SMILES:O=C(O)C(N)CSC(O)(NO)C
InChi:InChI=1S/C5H12N2O4S/c1-5(10,7-11)12-2-3(6)4(8)9/h3,7,10-11H,2,6H2,1H3,(H,8,9)/t3-,5-/m0/s1
Definition date:2007-04-02
Last modified:2011-06-04
Identifier:S-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]-L-cysteine
C42
C42
Name:3'-AMINO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H15 N4 O6 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(N)C2)COP(=O)(O)O
InChi:InChI=1S/C9H15N4O6P/c10-5-3-8(13-2-1-7(11)12-9(13)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8H,3-4,10H2,(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:1998-01-28
Last modified:2011-06-04
Identifier:3'-amino-2',3'-dideoxycytidine 5'-(dihydrogen phosphate)
C45
C45
Name:N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O8 P
SMILES:O=C1N=C(NOC)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O8P/c1-19-12-8-2-3-13(10(15)11-8)9-4-6(14)7(21-9)5-20-22(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:1993-07-15
Last modified:2011-06-04
Identifier:2'-deoxy-N-methoxycytidine 5'-(dihydrogen phosphate)
C46
C46
Name:6H,8H-3,4-DIHYDROPYRIMIDO[4,5-C][1,2]OXAZIN-7-0NE(CYTIDINE)-5'-MONOPHOSPHATE
Formula:C11 H16 N3 O8 P
SMILES:O=P(O)(O)OCC3OC(N1C=C2C(=NC1=O)NOCC2)CC3O
InChi:InChI=1S/C11H16N3O8P/c15-7-3-9(22-8(7)5-21-23(17,18)19)14-4-6-1-2-20-13-10(6)12-11(14)16/h4,7-9,15H,1-3,5H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
Definition date:1999-04-22
Last modified:2011-06-04
Identifier:6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4,6-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-7(3H)-one
C49
C49
Name:4-THIO,5-FLUORO,5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H15 F N3 O7 P S
SMILES:O=C1N(C(=S)C(F)(C(=[N@H])N1)C)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H15FN3O7PS/c1-10(11)7(12)13-9(16)14(8(10)23)6-2-4(15)5(21-6)3-20-22(17,18)19/h4-6,15H,2-3H2,1H3,(H2,12,13,16)(H2,17,18,19)/t4-,5+,6+,10+/m0/s1
Definition date:1995-09-15
Last modified:2011-06-04
Identifier:2'-deoxy-5-fluoro-5-methyl-6-thioxocytidine 5'-(dihydrogen phosphate)
C4E
C4E
Name:N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
Formula:C13 H11 N3
SMILES:n1cccc2c1ncc2Nc3ccccc3
InChi:InChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-12-9-15-13-11(12)7-4-8-14-13/h1-9,16H,(H,14,15)
Definition date:2008-01-30
Last modified:2011-06-04
Identifier:N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
C4S
C4S
Name:2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)
Formula:C9 H14 N3 O6 P S
SMILES:O=C1N=C(N)C=CN1C2SC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(20-8)4-18-19(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:2007-11-28
Last modified:2011-06-04
Identifier:2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)
C4X
C4X
Name:3,4-EPOXYBUTYL-BETA-D-XYLOSIDE
Formula:C9 H16 O6
SMILES:O(CCC1OC1)C2OCC(O)C(O)C2O
InChi:InChI=1S/C9H16O6/c10-6-4-15-9(8(12)7(6)11)13-2-1-5-3-14-5/h5-12H,1-4H2/t5-,6-,7+,8-,9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-[(2R)-oxiran-2-yl]ethyl beta-D-xylopyranoside
C53
C53
Name:2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE
Formula:C9 H7 N3 O S
SMILES:O=C1C(/SC(=[N@H])N1)=Cc2ncccc2
InChi:InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+
Definition date:2007-05-14
Last modified:2011-06-04
Identifier:(2Z,5E)-2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

223532

数据于2024-08-07公开中

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