General Information of the Compound
| Compound ID |
CP0157489
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| Compound Name |
Lmb763
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| Synonyms |
1773489-72-7
4-((N-benzyl-8-chloro-1-methyl-1,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamido)methyl)benzoic acid
4-[(N-benzyl-8-chloro-1-methyl-1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carboxamido)methyl]benzoic acid
4-[[benzyl-(8-chloro-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carbonyl)amino]methyl]benzoic acid
BCP28929
BDBM50527021
BS-15605
Benzoic acid, 4-((((8-chloro-1,4-dihydro-1-methyl(1)benzopyrano(4,3-C)pyrazol-3-yl)carbonyl)(phenylmethyl)amino)methyl)-
CHEMBL4297626
CJ1PL0TE6J
CS-0039398
Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(cc2)C(O)=O)c2COc3ccc(Cl)cc3-c12
EX-A1854
GTPL10655
HY-109096
LMB-763
LMB763
MFCD31657267
Nidufexor
Nidufexor [INN]
Nidufexor pound LMB-763 pound(c)
SCHEMBL16702097
UNII-CJ1PL0TE6J
ZINC584641402
compound 1 [PMID: 31940200]
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| Structure |
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| Formula |
C27H22ClN3O4
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| Molecular Weight |
487.943
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| Canonical SMILES |
Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(cc2)C(O)=O)c2COc3ccc(Cl)cc3-c12
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| InChI |
InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)
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| InChIKey |
JYTIXGYXBIBOMN-UHFFFAOYSA-N
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| CAS |
1773489-72-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01286, Bile acid receptor
Protein ID: PT00886, Estrogen receptor
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Clinical Information about the Compound