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CBJ
CBJ
Name:6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Formula:C18 H12 Br N O6
SMILES:O=C(O)c2c(ccc1OCCOc12)CN4c3ccc(Br)cc3C(=O)C4=O
InChi:InChI=1S/C18H12BrNO6/c19-10-2-3-12-11(7-10)15(21)17(22)20(12)8-9-1-4-13-16(14(9)18(23)24)26-6-5-25-13/h1-4,7H,5-6,8H2,(H,23,24)
Definition date:2010-07-05
Last modified:2011-06-04
Identifier:6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CBN
CBN
Name:CLOROBIOCIN
Formula:C35 H37 Cl N2 O11
SMILES:O=C(c1ccc(O)c(c1)CC=C(/C)C)NC4=C(O)c5ccc(OC3OC(C(OC)C(OC(=O)c2ccc(n2)C)C3O)(C)C)c(Cl)c5OC4=O
InChi:InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1
Definition date:2002-02-14
Last modified:2011-06-04
Identifier:N-[8-chloro-7-({6-deoxy-5-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-beta-D-gulopyranosyl}oxy)-4-hydroxy-2-oxo-2H-chromen-3-yl]-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
CBP
CBP
Name:2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE
Formula:C19 H20 Cl N O6 S
SMILES:O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3
InChi:InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
Definition date:1999-09-13
Last modified:2011-06-04
Identifier:2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide
CBR
CBR
Name:5-BROMO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 Br N3 O7 P
SMILES:BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:InChI=1S/C9H13BrN3O7P/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:2003-07-16
Last modified:2011-06-04
Identifier:5-bromo-2'-deoxycytidine 5'-(dihydrogen phosphate)
CBT
CBT
Name:N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE
Formula:C15 H13 Cl2 N5
SMILES:Clc1ccc(cc1)CN(c2nnnn2)Cc3ccc(Cl)cc3
InChi:InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-22(15-18-20-21-19-15)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H,18,19,20,21)
Definition date:2003-07-21
Last modified:2011-06-04
Identifier:N,N-bis(4-chlorobenzyl)-2H-tetrazol-5-amine
CBU
CBU
Name:(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL
Formula:C6 H12 O6
SMILES:OC1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1
Definition date:2008-05-03
Last modified:2011-06-04
Identifier:(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol
CBV
CBV
Name:5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:C9 H13 Br N3 O8 P
SMILES:BrC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:InChI=1S/C9H13BrN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Definition date:2006-10-19
Last modified:2011-06-04
Identifier:5-bromocytidine 5'-(dihydrogen phosphate)
CC3
CC3
Name:N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE
Formula:C21 H18 F3 N5 O
SMILES:FC(F)(F)c1cc(ccc1)Nc2nc(ncc2)Nc4cc(NC(=O)C3CC3)ccc4
InChi:InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)
Definition date:2006-10-27
Last modified:2011-06-04
Identifier:N-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide
CC5
CC5
Name:BETA-D-ERYTHROFURANOSYL-ADENOSINE
Formula:C9 H11 N5 O3
SMILES:n2c1c(ncnc1n(c2)C3OCC(O)C3O)N
InChi:InChI=1S/C9H11N5O3/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(16)4(15)1-17-9/h2-4,6,9,15-16H,1H2,(H2,10,11,12)/t4-,6-,9-/m1/s1
Definition date:2006-01-09
Last modified:2011-06-04
Identifier:(2R,3R,4R)-2-(6-amino-9H-purin-9-yl)tetrahydrofuran-3,4-diol
CC7
CC7
Name:4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one
Formula:C9 H12 N3 O7 P
SMILES:O=C1N=C(N)C=CN1C3OC2COP(=O)(OC2C3O)O
InChi:InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
Definition date:2008-10-20
Last modified:2011-06-04
Identifier:4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one
CCC
CCC
Name:CYTIDINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE
Formula:C9 H13 N3 O10 P2
SMILES:O=P1(OC2C(OC(C2O1)COP(=O)(O)O)N3C=CC(=NC3=O)N)O
InChi:InChI=1S/C9H13N3O10P2/c10-5-1-2-12(9(13)11-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
Definition date:2000-01-19
Last modified:2011-06-04
Identifier:[(2S,3aR,4R,6R,6aR)-6-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate
CCO
CCO
Name:CARBOXYMETHYLTHIO-3-(3-CHLOROPHENYL)-1,2,4-OXADIAZOL
Formula:C10 H7 Cl N2 O3 S
SMILES:Clc1cccc(c1)c2nc(SCC(=O)O)on2
InChi:InChI=1S/C10H7ClN2O3S/c11-7-3-1-2-6(4-7)9-12-10(16-13-9)17-5-8(14)15/h1-4H,5H2,(H,14,15)
Definition date:2001-02-26
Last modified:2011-06-04
Identifier:{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid
CCT
CCT
Name:5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID
Formula:C19 H14 N2 O4 S2
SMILES:O=C(O)c2sc(cc2NS(=O)(=O)c1ccccc1C)c3ccc(C#N)cc3
InChi:InChI=1S/C19H14N2O4S2/c1-12-4-2-3-5-17(12)27(24,25)21-15-10-16(26-18(15)19(22)23)14-8-6-13(11-20)7-9-14/h2-10,21H,1H3,(H,22,23)
Definition date:2005-10-06
Last modified:2011-06-04
Identifier:5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
373
373
Name:3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE
Formula:C24 H26 N4 O
SMILES:O=C1Nc5ccccc5C=C1c3cc2cc(ccc2n3)CN4CCC(CC4)CN
InChi:InChI=1S/C24H26N4O/c25-14-16-7-9-28(10-8-16)15-17-5-6-22-19(11-17)13-23(26-22)20-12-18-3-1-2-4-21(18)27-24(20)29/h1-6,11-13,16,26H,7-10,14-15,25H2,(H,27,29)
Definition date:2006-08-07
Last modified:2011-06-04
Identifier:3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1H-indol-2-yl)quinolin-2(1H)-one
376
376
Name:N-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
Formula:C18 H20 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)Nc3c2ccccc2ccc3
InChi:InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)18(27-12)20-17(26)16(25)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,18,21-24H,8H2,(H,19,25)(H,20,26)/t12-,13-,14+,15-,18-/m1/s1
Definition date:2008-04-23
Last modified:2011-06-04
Identifier:N-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
37D
37D
Name:methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
Formula:C10 H10 N2 O3
SMILES:O=C(OC)c2c(nnc2c1occc1)C
InChi:InChI=1S/C10H10N2O3/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12)
Definition date:2009-06-25
Last modified:2011-06-04
Identifier:methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
385
385
Name:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE
Formula:C33 H41 N3 O10 S2
SMILES:O=S(=O)(c2ccc1OCOc1c2)N(CC(C)C)CC(O)C(NC(=O)OC3C4CCOC4OC3)Cc6ccc(OCc5nc(sc5)C)cc6
InChi:InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1
Definition date:2006-01-23
Last modified:2011-06-04
Identifier:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate
38M
38M
Name:3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one
Formula:C29 H35 Cl N4 O2 S
SMILES:Clc1cccc(c1)N4C(=O)c5ccccc5N=C4SC(C(=O)N2CCCC3(C2)CNCCC3)CCCC
InChi:InChI=1S/C29H35ClN4O2S/c1-2-3-13-25(27(36)33-17-8-15-29(20-33)14-7-16-31-19-29)37-28-32-24-12-5-4-11-23(24)26(35)34(28)22-10-6-9-21(30)18-22/h4-6,9-12,18,25,31H,2-3,7-8,13-17,19-20H2,1H3/t25-,29-/m0/s1
Definition date:2008-11-19
Last modified:2011-06-04
Identifier:3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one
396
396
Name:4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide
Formula:C28 H25 Cl N4 O4
SMILES:Clc1ccccc1c2cc6c(c3c2C(=O)NC3=O)c5c(cc(C(=O)NCCN4CCCC4)c(O)c5)n6C
InChi:InChI=1S/C28H25ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-3,6-7,12-14,34H,4-5,8-11H2,1H3,(H,30,35)(H,31,36,37)
Definition date:2007-12-04
Last modified:2011-06-04
Identifier:4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazole-8-carboxamide
397
397
Name:2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL
Formula:C14 H10 O3
SMILES:Oc3ccc(c2oc1ccc(O)cc1c2)cc3
InChi:InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H
Definition date:2004-08-10
Last modified:2011-06-04
Identifier:2-(4-hydroxyphenyl)-1-benzofuran-5-ol
3A1
3A1
Name:N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine
Formula:C29 H41 N4 O8 P
SMILES:O=C(O)C(NC(=O)C(NC(=O)C(C)CP(=O)(O)C(NC(=O)Cc1ccccc1)Cc2ccccc2)CCCCN)CO
InChi:InChI=1S/C29H41N4O8P/c1-20(27(36)31-23(14-8-9-15-30)28(37)32-24(18-34)29(38)39)19-42(40,41)26(17-22-12-6-3-7-13-22)33-25(35)16-21-10-4-2-5-11-21/h2-7,10-13,20,23-24,26,34H,8-9,14-19,30H2,1H3,(H,31,36)(H,32,37)(H,33,35)(H,38,39)(H,40,41)/t20-,23+,24-,26-/m1/s1
Definition date:2010-02-05
Last modified:2011-06-04
Identifier:N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine
3A2
3A2
Name:1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine
Formula:C29 H44 N5 O8 P
SMILES:O=C(NC(Cc1ccccc1)P(=O)(O)CCC(=O)N2C(C(=O)NC(C(=O)O)CCCC)CCC2)C3N(C(=O)CN)CCC3
InChi:InChI=1S/C29H44N5O8P/c1-2-3-11-21(29(39)40)31-27(37)22-12-7-15-33(22)25(35)14-17-43(41,42)24(18-20-9-5-4-6-10-20)32-28(38)23-13-8-16-34(23)26(36)19-30/h4-6,9-10,21-24H,2-3,7-8,11-19,30H2,1H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)/t21-,22+,23+,24-/m1/s1
Definition date:2010-02-05
Last modified:2011-06-04
Identifier:1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine
3A3
3A3
Name:2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID
Formula:C17 H13 N O7
SMILES:O=C(O)COc3ccc2c1ccc(OCC(=O)O)cc1/C(=NO)c2c3
InChi:InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22)
Definition date:2006-03-09
Last modified:2011-06-04
Identifier:2,2'-{[9-(hydroxyimino)-9H-fluorene-2,7-diyl]bis(oxy)}diacetic acid
3AB
3AB
Name:3-aminobenzamide
Formula:C7 H8 N2 O
SMILES:O=C(c1cc(N)ccc1)N
InChi:InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
Definition date:2009-03-24
Last modified:2011-06-04
Identifier:3-aminobenzamide
3AD
3AD
Name:3'-DEOXYADENOSINE
Formula:C10 H13 N5 O3
SMILES:n2c1c(ncnc1n(c2)C3OC(CC3O)CO)N
InChi:InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
Definition date:2000-08-03
Last modified:2011-06-04
Identifier:3'-deoxyadenosine

223532

PDB entries from 2024-08-07

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