General Information of the Compound
| Compound ID |
CP0060594
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| Compound Name |
WAY-362450
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| Synonyms |
1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
3-(3,4-difluorobenzoyl)-1,2,3,6-tetrahydro-1,1-dimethyl-Azepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester
629664-81-9
FXR 450
FXR-450
PMID30259754-Compound-WAY-362450
S6KDM312I5
Turofexorate Isopropyl (XL335)
Turofexorate isopropyl
Turofexorate isopropyl [USAN:I
UNII-S6KDM312I5
WAY 362450
WAY-362450
WAY362450
XL-335
XL335
isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
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| Structure |
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| Formula |
C25H24F2N2O3
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| Molecular Weight |
438.474
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| Canonical SMILES |
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3
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| InChIKey |
INASOKQDNHHMRE-UHFFFAOYSA-N
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| CAS |
629664-81-9
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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: PT00894, Androgen receptor
Protein ID: PT01286, Bile acid receptor
Cell-based Assay
Protein ID: PT06303, Bile acid receptor
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor
Clinical Information about the Compound
Drug 1 ( Turofexorate isopropyl )
| Drug Name | Turofexorate isopropyl | ||
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| Company | Pfizer New York, NY | ||
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