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29S
29S
Name:Bazedoxifene
Formula:C30 H34 N2 O3
SMILES:Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C
InChi:InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
Synonyms:1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
Definition date:2013-09-13
Last modified:2020-06-17
Release date:2016-01-13
Identifier:1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol
29W
29W
Name:(5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid
Formula:C19 H18 N2 O6 S
SMILES:O=S(=O)(c1ccc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O
InChi:InChI=1S/C19H18N2O6S/c1-12-3-6-15(7-4-12)28(25,26)20-19(24)17-10-13-9-14(27-2)5-8-16(13)21(17)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)
Synonyms:2-(5-METHOXY-2-(TOSYLCARBAMOYL)-1H-INDOL-1-YL)ACETIC ACID
Definition date:2013-09-16
Last modified:2020-06-17
Release date:2014-08-27
Identifier:(5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid
2BA
2BA
Name:(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide
Formula:C20 H24 N10 O12 P2
SMILES:O=P5(OCC7OC(n1c2ncnc(N)c2nc1)C(O)C7OP(=O)(O)OCC6OC(n3c4ncnc(N)c4nc3)C(O)C6O5)O
InChi:InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Synonyms:bis-(3',5')-cyclic-dimeric-Adenosine-monophosphate
Definition date:2008-01-29
Last modified:2020-06-17
Identifier:(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide
2BQ
2BQ
Name:2-hydroxysaclofen
Formula:C9 H12 Cl N O4 S
SMILES:Clc1ccc(cc1)C(O)(CN)CS(=O)(=O)O
InChi:InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)/t9-/m0/s1
Synonyms:(2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid
Definition date:2013-09-19
Last modified:2020-06-17
Release date:2013-12-11
Identifier:(2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid
2BR
2BR
Name:2-BROMOPHENOL
Formula:C6 H5 Br O
SMILES:Brc1ccccc1O
InChi:InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
Synonyms:BROMOPHENOL
Definition date:2005-08-03
Last modified:2020-06-17
Identifier:2-bromophenol
2BW
2BW
Name:(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
Formula:C8 H20 N O4 P
SMILES:O=P(O)(CCCN)C(OCC)OCC
InChi:InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
Synonyms:CGP 35348
Definition date:2013-09-19
Last modified:2020-06-17
Release date:2013-12-11
Identifier:(S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
2BY
2BY
Name:phaclofen
Formula:C9 H13 Cl N O3 P
SMILES:Clc1ccc(cc1)C(CP(=O)(O)O)CN
InChi:InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)/t8-/m1/s1
Synonyms:[(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid
Definition date:2013-09-19
Last modified:2020-06-17
Release date:2013-12-11
Identifier:[(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid
2C0
2C0
Name:baclofen
Formula:C10 H12 Cl N O2
SMILES:Clc1ccc(cc1)C(CN)CC(=O)O
InChi:InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Synonyms:(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
Definition date:2013-09-19
Last modified:2020-06-17
Release date:2013-12-11
Identifier:(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
2CC
2CC
Name:3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
Formula:C22 H13 Cl2 N3 O4
SMILES:Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4
InChi:InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)
Synonyms:11,11'-Dichlorochromopyrrolic Acid
Definition date:2009-04-13
Last modified:2020-06-17
Identifier:3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
2CU
2CU
Name:3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
Formula:C19 H24 Cl N5 O3 S
SMILES:Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C
InChi:InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)
Synonyms:LY2119620 positive allosteric modulator of M2/M4 receptor
Definition date:2013-09-20
Last modified:2020-06-17
Release date:2013-11-27
Identifier:3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
2DI
2DI
Name:9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
Formula:C10 H12 N4 O3
SMILES:O=C1c2ncn(c2N=CN1)C3OC(CC3)CO
InChi:InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
Synonyms:2',3'-DIDEOXYINOSINE
Definition date:2003-11-11
Last modified:2020-06-17
Identifier:9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one
CR4
CR4
Name:2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE
Formula:C14 H12 N4 O
SMILES:[O-]c3ccccc3c2nc1cc(ccc1n2)C(=[NH2+])N
InChi:InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
Synonyms:CRA_1144
Definition date:2003-03-14
Last modified:2020-06-17
Identifier:2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}phenolate
CRJ
CRJ
Name:N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETH YL]-L-ALANINAMIDE
Formula:C20 H22 F4 N4 O4 S
SMILES:O=C3NC(CS(=O)(=O)CC(C(=O)NC1(C#N)CC1)NC(c2ccc(F)cc2)C(F)(F)F)CC3
InChi:InChI=1S/C20H22F4N4O4S/c21-13-3-1-12(2-4-13)17(20(22,23)24)27-15(18(30)28-19(11-25)7-8-19)10-33(31,32)9-14-5-6-16(29)26-14/h1-4,14-15,17,27H,5-10H2,(H,26,29)(H,28,30)/t14-,15-,17-/m0/s1
Synonyms:N-(1-CYANO-CYCLOPROPYL)-3-(5-OXO-PYRROLIDIN-2-YLMETHANESULFONYL)-2-[2,2,2-TR IFLUORO-1-(4-FLUORO-PHENYL)-ETHYLAMINO]-PROPIONAMIDE
Definition date:2006-01-25
Last modified:2020-06-17
Identifier:N-(1-cyanocyclopropyl)-3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide
CRR
CRR
Name:3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID
Formula:C22 H15 N3 O4
SMILES:O=C(O)c5c(c2c1ccccc1nc2)c(c4c3ccccc3nc4)c(C(=O)O)n5
InChi:InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)
Synonyms:CHROMOPYRROLIC ACID
Definition date:2007-06-07
Last modified:2020-06-17
Identifier:3,4-di-1H-indol-3-yl-1H-pyrrole-2,5-dicarboxylic acid
CRZ
CRZ
Name:4-(9H-CARBAZOL-9-YL)BUTANOIC ACID
Formula:C16 H15 N O2
SMILES:O=C(O)CCCn3c1ccccc1c2c3cccc2
InChi:InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)
Synonyms:CARBAZOLE BUTANOIC ACID
Definition date:2004-06-22
Last modified:2020-06-17
Identifier:4-(9H-carbazol-9-yl)butanoic acid
CS4
CS4
Name:S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE
Formula:C12 H13 Cl2 N O3 S
SMILES:Clc1ccc(C(=O)CCSCC(C(=O)O)N)cc1Cl
InChi:InChI=1S/C12H13Cl2NO3S/c13-8-2-1-7(5-9(8)14)11(16)3-4-19-6-10(15)12(17)18/h1-2,5,10H,3-4,6,15H2,(H,17,18)/t10-/m0/s1
Synonyms:(R)-2-AMINO-3-(3-(3,4-DICHLOROPHENYL)-3-OXOPROPYLTHIO)PROPANOIC ACID
Definition date:2007-02-07
Last modified:2020-06-17
Identifier:S-[3-(3,4-dichlorophenyl)-3-oxopropyl]-L-cysteine
CSF
CSF
Name:CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID
Formula:C20 H30 F N4 O16 P
SMILES:FC3C(O)C(NC(=O)C)C(OC3(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)C(=O)O)C(O)C(O)CO
InChi:InChI=1S/C20H30FN4O16P/c1-6(27)23-10-13(31)16(21)20(18(33)34,40-15(10)11(29)7(28)4-26)41-42(36,37)38-5-8-12(30)14(32)17(39-8)25-3-2-9(22)24-19(25)35/h2-3,7-8,10-17,26,28-32H,4-5H2,1H3,(H,23,27)(H,33,34)(H,36,37)(H2,22,24,35)/t7-,8-,10-,11-,12-,13-,14-,15-,16-,17-,20-/m1/s1
Synonyms:CMP-3FNEUAC
Definition date:2003-12-04
Last modified:2020-06-17
Identifier:(2S,3R,4R,5R,6R)-5-(acetylamino)-2-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
CSG
CSG
Name:2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
Formula:C9 H17 N4 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(N)C2O
InChi:InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3,11H2,(H,19,20)(H,21,22)(H2,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Synonyms:2'-amino-2'-deoxycytidine-5'-triphosphate
Definition date:2009-04-23
Last modified:2020-06-17
Identifier:2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
CT8
CT8
Name:(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE
Formula:C17 H14 Br N6
SMILES:Brc4cccc(c1nc3ncn[n+]3c(c1)NCc2ccncc2)c4
InChi:InChI=1S/C17H13BrN6/c18-14-3-1-2-13(8-14)15-9-16(24-17(23-15)21-11-22-24)20-10-12-4-6-19-7-5-12/h1-9,11H,10H2,(H,20,21,22,23)/p+1
Synonyms:TRIAZOLOPYRIMIDINE
Definition date:2005-11-08
Last modified:2020-06-17
Identifier:5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
CTI
CTI
Name:1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Formula:C21 H18 N O4
SMILES:O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)c(OC)c(OC)cc5
InChi:InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
Synonyms:chelerythrine
Definition date:2010-12-21
Last modified:2020-06-17
Identifier:1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
CUE
CUE
Name:Coumestrol
Formula:C15 H8 O5
SMILES:O=C3Oc4cc(O)ccc4c2oc1c(ccc(O)c1)c23
InChi:InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
Synonyms:3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one
Definition date:2009-09-29
Last modified:2020-06-17
Identifier:3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one
CV1
CV1
Name:(2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide
Formula:C15 H21 Br N5 O13 P2
SMILES:Brc2nc1c(N)[n+]4cnc1n2C3OC(C(O)C3O)COP(=O)(OP(=O)(O)OCC5OC4C(O)C5O)O
InChi:InChI=1S/C15H20BrN5O13P2/c16-15-19-6-11(17)20-3-18-12(6)21(15)14-10(25)8(23)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(22)9(24)13(20)32-4/h3-5,7-10,13-14,17,22-25H,1-2H2,(H2,26,27,28,29)/p-1/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
Synonyms:8-BROMO-CYCLIC-ADP-RIBOSE
Definition date:2011-09-07
Last modified:2020-06-17
Identifier:(2R,3R,4S,5R,8R,10R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22-tetraene 8,10-dioxide (non-preferred name)
CVU
CVU
Name:L-Fuculose open form
Formula:C6 H12 O5
SMILES:O=C(C(O)C(O)C(O)C)CO
InChi:InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1
Synonyms:6-deoxy-L-tagatose
Definition date:2013-08-16
Last modified:2020-06-17
Release date:2013-12-11
Identifier:6-deoxy-L-tagatose
CWH
CWH
Name:[(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth yl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate
Formula:C27 H49 N O8
SMILES:C[CH](CCNC(=O)[CH](C)O)CC[CH](O)CC[CH](C)CC[CH](C[CH]1O[CH](O)[CH](C)C(=O)[CH]1C)OC(C)=O
InChi:InChI=1S/C27H49NO8/c1-16(7-10-22(31)11-8-17(2)13-14-28-26(33)20(5)29)9-12-23(35-21(6)30)15-24-18(3)25(32)19(4)27(34)36-24/h16-20,22-24,27,29,31,34H,7-15H2,1-6H3,(H,28,33)/t16-,17+,18-,19+,20+,22+,23+,24-,27+/m1/s1
Synonyms:LC-KA05
Definition date:2017-12-11
Last modified:2020-06-17
Release date:2018-09-19
Identifier:[(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimethyl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate
CXR
CXR
Name:CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE
Formula:C15 H21 N5 O13 P2
SMILES:O=P4(OCC5OC(n1c2N=CN(C(=[N@H])c2nc1)C3OC(C(O)C3O)COP(=O)(O)O4)C(O)C5O)O
InChi:InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/b16-12+/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
Synonyms:CYCLIC ADP-RIBOSE
Definition date:2005-10-05
Last modified:2020-06-17
Identifier:(2R,3R,4S,5R,8S,10R,13R,14S,15R,16R,24E)-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide (non-preferred name)

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