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32H
32H
Name:2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
Formula:C14 H6 Br2 N2 O2 S
SMILES:Brc3ccc(c1c2C(O)=C(C#N)C(=O)Nc2sc1Br)cc3
InChi:InChI=1S/C14H6Br2N2O2S/c15-7-3-1-6(2-4-7)9-10-11(19)8(5-17)13(20)18-14(10)21-12(9)16/h1-4H,(H2,18,19,20)
Synonyms:Br2-A769662core
Definition date:2014-05-23
Last modified:2021-03-01
Release date:2014-08-06
Identifier:2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
32J
32J
Name:2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
Formula:C20 H11 Cl N2 O3 S
SMILES:N#CC4=C(O)c1c(sc(Cl)c1c3ccc(c2ccccc2O)cc3)NC4=O
InChi:InChI=1S/C20H11ClN2O3S/c21-18-15(16-17(25)13(9-22)19(26)23-20(16)27-18)11-7-5-10(6-8-11)12-3-1-2-4-14(12)24/h1-8,24H,(H2,23,25,26)
Synonyms:Cl-A769662
Definition date:2014-05-23
Last modified:2021-03-01
Release date:2014-08-06
Identifier:2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
336
336
Name:4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE
Formula:C27 H31 Br2 Cl N4 O2
SMILES:O=C(N4CCC(C3c1c(Br)cc(Cl)cc1CCc2cc(Br)cnc23)CC4)CC5CCN(C(=O)N)CC5
InChi:InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
Synonyms:SCH66336
Definition date:2003-10-06
Last modified:2021-03-01
Identifier:4-(2-{4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide
EDH
EDH
Name:N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
Formula:C18 H18 N4 O2
SMILES:C(c3cccc(C(=O)/N=C1Nc2c(N1CCC)cccc2)c3)(=O)N
InChi:InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
Synonyms:EDHS-206
Definition date:2017-05-17
Last modified:2021-03-01
Release date:2017-08-30
Identifier:N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
EDO
EDO
Name:1,2-ETHANEDIOL
Formula:C2 H6 O2
SMILES:OCCO
InChi:InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
Synonyms:ETHYLENE GLYCOL
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:ethane-1,2-diol
EDP
EDP
Name:5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Formula:C11 H18 N2 O2 S
SMILES:O=C1NC(=S)NC(=O)C1(C(C)CCC)CC
InChi:InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m1/s1
Synonyms:Thiopental
Definition date:2011-04-05
Last modified:2021-03-01
Identifier:5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
EDV
EDV
Name:1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione
Formula:C12 H14 N2 O5
SMILES:O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2C)CO
InChi:InChI=1S/C12H14N2O5/c1-3-7-4-14(12(18)13-10(7)17)11-6(2)9(16)8(5-15)19-11/h1,4,6,8-9,11,15-16H,5H2,2H3,(H,13,17,18)/t6-,8+,9-,11+/m0/s1
Synonyms:(2'S)-2'-DEOXY-2'-METHYL-5-ETHYNYLURIDINE
Definition date:2014-02-12
Last modified:2021-03-01
Release date:2014-08-13
Identifier:1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione
33O
33O
Name:3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
Formula:C26 H54 O14
SMILES:O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2
Synonyms:Tridecaethyleneglycol
Definition date:2014-06-10
Last modified:2021-03-01
Release date:2015-07-29
Identifier:3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
EE1
EE1
Name:(3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid
Formula:C26 H34 N7 O22 P3
SMILES:NC(=O)C1=CN(C=C[CH]1[CH](CC(O)=O)C(=O)C(O)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C26H34N7O22P3/c27-21-15-23(30-7-29-21)33(8-31-15)25-20(54-56(43,44)45)18(38)13(53-25)6-51-58(48,49)55-57(46,47)50-5-12-17(37)19(39)24(52-12)32-2-1-9(11(4-32)22(28)40)10(3-14(34)35)16(36)26(41)42/h1-2,4,7-10,12-13,17-20,24-25,37-39H,3,5-6H2,(H2,28,40)(H,34,35)(H,41,42)(H,46,47)(H,48,49)(H2,27,29,30)(H2,43,44,45)/t9-,10-,12+,13+,17+,18+,19+,20+,24+,25+/m0/s1
Synonyms:NADPH with ketoglutarate adduct
Definition date:2018-01-02
Last modified:2021-03-01
Release date:2018-02-07
Identifier:(3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid
FM0
FM0
Name:(3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid
Formula:C6 H13 F O10 P2
SMILES:O=P(O)(O)OP(=O)(OCCC(O)(CC(=O)O)CF)O
InChi:InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1
Synonyms:6-fluoromevalonate 5-diphosphate
Definition date:2011-02-24
Last modified:2021-03-01
Identifier:(3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid
FN1
FN1
Name:5-fluoronicotine
Formula:C10 H13 F N2
SMILES:Fc1cncc(c1)C2CCCN2C
InChi:InChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1
Synonyms:3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Definition date:2015-05-28
Last modified:2021-03-01
Release date:2015-06-24
Identifier:3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
36L
36L
Name:(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
Formula:C35 H47 N O8
SMILES:O=C1OC2C(C=CC4OC4(C(O)CC(OC(=O)C=CCC(C1)C2)C(C)C(OC)C(=CC=CC(=Cc3nc(oc3)C)C)C)C)C
InChi:InChI=1S/C35H47NO8/c1-21(16-27-20-41-25(5)36-27)10-8-11-23(3)34(40-7)24(4)29-19-30(37)35(6)31(44-35)15-14-22(2)28-17-26(18-33(39)42-28)12-9-13-32(38)43-29/h8-11,13-16,20,22,24,26,28-31,34,37H,12,17-19H2,1-7H3/b10-8+,13-9+,15-14+,21-16+,23-11+/t22-,24+,26-,28-,29+,30+,31-,34+,35-/m1/s1
Synonyms:Rhizoxin
Definition date:2014-06-25
Last modified:2021-03-01
Release date:2014-08-27
Identifier:(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
FOP
FOP
Name:2-HYDROXY-PROPYL-AMMONIUM
Formula:C3 H10 N O
SMILES:OC(C)C[NH3+]
InChi:InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1
Synonyms:F-LOOP OF VITAMIN B12
Definition date:2001-04-11
Last modified:2021-03-01
Identifier:(2R)-2-hydroxypropan-1-aminium
FP0
FP0
Name:(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
Formula:C17 H24 O5
SMILES:O=C(OC3CC2(C4(C(OC3C21OC1)C=C(C)CC4)CO)C)C
InChi:InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1
Synonyms:15-decalonectrin
Definition date:2009-01-05
Last modified:2021-03-01
Identifier:(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
FPM
FPM
Name:(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Formula:C12 H15 N O5 S
SMILES:O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O
InChi:InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
Synonyms:Faropenem
Definition date:2007-11-27
Last modified:2021-03-01
Identifier:(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
37U
37U
Name:D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide
Formula:C21 H24 F N3 O2
SMILES:O=C(NCc1cccc(F)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C21H24FN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1
Synonyms:(2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-((3-fluorophenyl)methyl)pyrrolidine-2-carboxamide
Definition date:2007-11-30
Last modified:2021-03-01
Identifier:D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide
FPS
FPS
Name:S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
Formula:C15 H28 O6 P2 S
SMILES:O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(C)CCC=C(/C)C)C
InChi:InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
Synonyms:FARNESYL THIOPYROPHOSPHATE
Definition date:2005-03-16
Last modified:2021-03-01
Identifier:S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate
381
381
Name:(S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid
Formula:C10 H22 N O2 P
SMILES:O=P(O)(CC1CCCCC1)CCCN
InChi:InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)
Synonyms:CGP 46381
Definition date:2013-09-19
Last modified:2021-03-01
Release date:2013-12-11
Identifier:(S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid
383
383
Name:[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID
Formula:C17 H23 N3 O9
SMILES:O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C3N(O)C2OCC(O)(C2O)C3O
InChi:InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1
Synonyms:SB-219383
Definition date:2001-07-05
Last modified:2021-03-01
Identifier:(2S)-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]oct-3-yl](L-tyrosylamino)ethanoic acid
FQC
FQC
Name:3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one
Formula:C16 H8 Cl2 F N5 O
SMILES:Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1)c4ccc(Cl)cc4Cl
InChi:InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H
Synonyms:Fluquinconazole
Definition date:2015-10-20
Last modified:2021-03-01
Release date:2016-02-10
Identifier:3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one
FR0
FR0
Name:N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE
Formula:C16 H15 N7 S2
SMILES:N(=C(/N)N)c4nc(c1sc(cc1)CNc2nc3ccccc3n2)cs4
InChi:InChI=1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23)
Synonyms:FR117016
Definition date:2002-12-13
Last modified:2021-03-01
Identifier:2-(4-{5-[(1H-benzimidazol-2-ylamino)methyl]thiophen-2-yl}-1,3-thiazol-2-yl)guanidine
FR5
FR5
Name:1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:C27 H29 N7 O3
SMILES:O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCc4nc5ccccc5n4C
InChi:InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-7,10,12,14-15,17,20,35H,8-9,11,13,16H2,1H3,(H2,28,37)(H,30,36)/t20-/m1/s1
Synonyms:FR235999
Definition date:2002-12-13
Last modified:2021-03-01
Identifier:1-[(1R)-1-(hydroxymethyl)-3-(6-{[3-(1-methyl-1H-benzimidazol-2-yl)propanoyl]amino}-1H-indol-1-yl)propyl]-1H-imidazole-4-carboxamide
FR6
FR6
Name:1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:C19 H21 N3 O2
SMILES:O=C(c1ncn(c1)C(C(O)C)CCc3c2ccccc2ccc3)N
InChi:InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1
Synonyms:FR233623
Definition date:2003-12-16
Last modified:2021-03-01
Identifier:1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide
FR8
FR8
Name:1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:C27 H31 N5 O3
SMILES:O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCCCc4ccccc4
InChi:InChI=1S/C27H31N5O3/c28-27(35)24-17-32(19-29-24)23(18-33)13-15-31-14-12-21-10-11-22(16-25(21)31)30-26(34)9-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,10-12,14,16-17,19,23,33H,4-5,8-9,13,15,18H2,(H2,28,35)(H,30,34)/t23-/m1/s1
Synonyms:FR235380
Definition date:2003-09-15
Last modified:2021-03-01
Identifier:1-[(1R)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1H-indol-1-yl}propyl]-1H-imidazole-4-carboxamide
FRC
FRC
Name:1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE
Formula:C19 H21 N3 O3
SMILES:O=C(c1ncn(c1)C(C(O)C)CCOc3cc2ccccc2cc3)N
InChi:InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1
Synonyms:FR247581
Definition date:2003-12-16
Last modified:2021-03-01
Identifier:3-(4-carbamoyl-1H-imidazol-1-yl)-1,3,4-trideoxy-5-O-naphthalen-2-yl-D-erythro-pentitol

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PDB entries from 2025-11-19

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