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ICF
ICF
Name:1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER
Formula:C3 H2 Cl F5 O
SMILES:(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
InChi:InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1
Synonyms:ISOFLURANE
Definition date:2004-11-19
Last modified:2020-06-17
Identifier:(1S)-1-chloro-2,2,2-trifluoroethyl difluoromethyl ether
ICJ
ICJ
Name:(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol
Formula:C31 H52 O3
SMILES:OC3C(=C)C(=C/C=C1CCCC2(C)C(C(C)C(CCCC)CC(O)C(C)C)CCC12)CC(O)C3
InChi:InChI=1S/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24+,26-,27-,28+,29-,30+,31-/m1/s1
Synonyms:22S-butyl-1a,24R-dihydroxyvitamin D3
Definition date:2010-03-17
Last modified:2020-06-17
Identifier:(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,3S,5R)-3-butyl-5-hydroxy-6-methylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)
ID5
ID5
Name:[5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
Formula:C17 H10 F4 N2 O4 S
SMILES:Fc1ccc(c(OCC(=O)O)c1)C(=O)NCc2nc3c(F)c(F)cc(F)c3s2
InChi:InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25)
Synonyms:IDD552
Definition date:2004-05-07
Last modified:2020-06-17
Identifier:(5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxy)acetic acid
BH7
BH7
Name:E-AMINO BIOTINYL CAPROIC ACID
Formula:C16 H27 N3 O4 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCCC(=O)O
InChi:InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
Synonyms:6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID
Definition date:2002-04-15
Last modified:2020-06-17
Identifier:6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
ID8
ID8
Name:2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID
Formula:C15 H15 N O2
SMILES:O=C(O)c2c(Nc1cccc(c1C)C)cccc2
InChi:InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
Synonyms:MEFENAMIC ACID
Definition date:2010-07-30
Last modified:2020-06-17
Identifier:2-[(2,3-dimethylphenyl)amino]benzoic acid
IDB
IDB
Name:3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID
Formula:C20 H14 I6 N2 O6
SMILES:O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I
InChi:InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
Synonyms:3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOIC ACID)
Definition date:2005-07-26
Last modified:2020-06-17
Identifier:3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid)
BHE
BHE
Name:octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Formula:C20 H38 O10
SMILES:O(CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO
InChi:InChI=1S/C20H38O10/c1-3-4-5-6-7-8-9-27-20-18(16(25)14(23)12(10-21)29-20)30-19-17(26)15(24)13(22)11(2)28-19/h11-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,20+/m0/s1
Synonyms:H-antigen acceptor
Definition date:2008-01-04
Last modified:2020-06-17
Identifier:octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
BHF
BHF
Name:2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE
Formula:C19 H12 O2
SMILES:O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4
InChi:InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
Synonyms:7,8-BENZOFLAVONE
Definition date:2006-06-30
Last modified:2020-06-17
Identifier:2-phenyl-4H-benzo[h]chromen-4-one
IDJ
IDJ
Name:(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
Formula:C6 H11 N O5
SMILES:O=C(O)C1NCC(O)C(O)C1O
InChi:InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3+,4+,5+/m0/s1
Synonyms:[2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine
Definition date:2013-05-07
Last modified:2020-06-17
Release date:2013-09-18
Identifier:(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
BHN
BHN
Name:2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
Formula:C20 H24 N2 O6
SMILES:O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2O)CC(=O)O
InChi:InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28)
Synonyms:N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
Definition date:2010-05-26
Last modified:2020-06-17
Identifier:2,2'-{ethane-1,2-diylbis[(2-hydroxybenzyl)imino]}diacetic acid (non-preferred name)
IDN
IDN
Name:(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE
Formula:C22 H22 N4 O2
SMILES:O=C2Nc1ncc(cc1CC2)C=CC(=O)N(C)Cc4c3ccccc3n(c4)C
InChi:InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+
Synonyms:INDOLE NAPHTHYRIDINONE
Definition date:2002-08-28
Last modified:2020-06-17
Identifier:(2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
BI1
BI1
Name:3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Formula:C25 H24 N4 O2
SMILES:O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN(C)C)C(=O)N5
InChi:InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
Synonyms:RBT205 INHIBITOR
Definition date:2003-12-16
Last modified:2020-06-17
Identifier:3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
BI3
BI3
Name:3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Formula:C23 H20 N4 O2
SMILES:O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5
InChi:InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
Synonyms:INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1
Definition date:2003-12-16
Last modified:2020-06-17
Identifier:3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
BID
BID
Name:BISTRAMIDE A
Formula:C40 H68 N2 O8
SMILES:O=C(/C=C/C)CC1OC(C(C)CC1)CC(=O)NCC(O)C(C(=O)NCCCC3OC2(OC(CCC2)CCC(C=C(/C)C(O)C)C)CCC3C)C
InChi:InChI=1S/C40H68N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30-31,33-37,43,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,31-,33-,34+,35-,36+,37-,40-/m0/s1
Synonyms:(2S,3R)-3-HYDROXY-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-HYDROXY-3,5-DIMETHYLHEPT-4-EN-1-YL]-3-METHYL-1,7-DIOXASPIRO[5.5]U NDEC-2-YL}PROPYL)-2-METHYL-4-[({(2S,3S,6R)-3-METHYL-6-[(3E)-2-OXOPENT-3-EN-1-YL]TETRAHYDRO-2H-PYRAN-2-YL}ACETYL)AMINO]BU TANAMIDE
Definition date:2006-02-09
Last modified:2020-06-17
Identifier:(2S,3R)-3-hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethylhept-4-en-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({(2S,3S,6R)-3-methyl-6-[(3E)-2-oxopent-3-en-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]butanamide
BIH
BIH
Name:NAPHTHALENE-2,6-DISULFONIC ACID
Formula:C10 H8 O6 S2
SMILES:O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O
InChi:InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)
Synonyms:2,6-NAPHTHALENEDISULFONIC ACID
Definition date:2004-08-11
Last modified:2020-06-17
Identifier:naphthalene-2,6-disulfonic acid
BIK
BIK
Name:3,7-DIHYDROXY-2-NAPHTHOIC ACID
Formula:C11 H8 O4
SMILES:O=C(O)c2cc1c(ccc(O)c1)cc2O
InChi:InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)
Synonyms:3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID
Definition date:2004-08-11
Last modified:2020-06-17
Identifier:3,7-dihydroxynaphthalene-2-carboxylic acid
IF7
IF7
Name:(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one
Formula:C6 H11 N O4
SMILES:OC[CH]1CNC(=O)[CH](O)[CH]1O
InChi:InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4+,5+/m1/s1
Synonyms:ISO-GALACTO-FAGOMINE LACTAM
Definition date:2015-03-17
Last modified:2020-06-17
Release date:2015-03-25
Identifier:(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one
BJC
BJC
Name:(1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide
Formula:C35 H51 N3 O3
SMILES:CC(C)c1cccc(CNC[CH](O)[CH](Cc2ccccc2)NC(=O)[CH]3CCC[CH](C3)C(C)(C)N4CCCCC4=O)c1
InChi:InChI=1S/C35H51N3O3/c1-25(2)28-15-10-14-27(20-28)23-36-24-32(39)31(21-26-12-6-5-7-13-26)37-34(41)29-16-11-17-30(22-29)35(3,4)38-19-9-8-18-33(38)40/h5-7,10,12-15,20,25,29-32,36,39H,8-9,11,16-19,21-24H2,1-4H3,(H,37,41)/t29-,30+,31+,32-/m1/s1
Synonyms:(1R,3S)-3-[1-Methyl-1-(2-oxo-piperidin-1-yl)-ethyl]-cyclohexanecarboxylic acid [(1S,2R)-1-benzyl-2-hydroxy-3-(3-isopropyl-benzylamino)-propyl]-amide
Definition date:2009-12-11
Last modified:2020-06-17
Identifier:(1R,3S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-3-[2-(2-oxopiperidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide
BJE
BJE
Name:2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil
Formula:C9 H10 N2 O5
SMILES:OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O
InChi:InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7-,8-/m1/s1
Synonyms:Anhydrouridine
Definition date:2017-10-06
Last modified:2020-06-17
Identifier:(2~{R},4~{R},5~{R},6~{R})-4-(hydroxymethyl)-5-oxidanyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-10-one
IFL
IFL
Name:(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE
Formula:C6 H11 N O4
SMILES:O=C1NCC(CO)C(O)C1O
InChi:InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4-,5+/m1/s1
Synonyms:ISOFAGOMINE LACTAM
Definition date:2004-03-03
Last modified:2020-06-17
Identifier:(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one
IFP
IFP
Name:2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE
Formula:C6 H4 F3 N3
SMILES:FC(F)(F)C=1N=CC(=C)/C(=[N@H])N=1
InChi:InChI=1S/C6H4F3N3/c1-3-2-11-5(6(7,8)9)12-4(3)10/h2,10H,1H2
Synonyms:4-IMINO-5-METHIDYL-2-TRIFLUOROMETHYLPYRIMIDINE
Definition date:2000-11-15
Last modified:2020-06-17
Identifier:(4Z)-5-methylidene-2-(trifluoromethyl)pyrimidin-4(5H)-imine
BJX
BJX
Name:Repaglinide
Formula:C27 H36 N2 O4
SMILES:C(CC(c1ccccc1N2CCCCC2)NC(Cc3ccc(c(c3)OCC)C(=O)O)=O)(C)C
InChi:InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
Synonyms:2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
Definition date:2019-02-07
Last modified:2020-06-17
Release date:2019-05-22
Identifier:2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
BK1
BK1
Name:1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C19 H19 N5
SMILES:n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)C)N
InChi:InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)
Synonyms:4-Amino-1-iso-propyl-3-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidine
Definition date:2009-07-09
Last modified:2020-06-17
Identifier:3-(naphthalen-1-ylmethyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
BK5
BK5
Name:3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C20 H21 N5 O
SMILES:n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)C(C)C)N
InChi:InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)
Synonyms:RM-1-89
Definition date:2011-07-27
Last modified:2020-06-17
Identifier:3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
BK7
BK7
Name:3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C23 H26 N6 O
SMILES:n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)CC5CCNCC5)N
InChi:InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
Synonyms:RM-1-132
Definition date:2011-07-27
Last modified:2020-06-17
Identifier:3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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