General Information of the Compound
| Compound ID |
CP0463705
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| Compound Name |
4-[2-(6-{[Bis-(4-fluoro-phenyl)-methyl]-carbamoyl}-benzofuran-2-yl)-phenoxy]-butyric acid
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| Structure |
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| Formula |
C32H25F2NO5
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| Molecular Weight |
541.55
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| Canonical SMILES |
OC(=O)CCCOc1ccccc1-c1cc2ccc(cc2o1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C32H25F2NO5/c33-24-13-9-20(10-14-24)31(21-11-15-25(34)16-12-21)35-32(38)23-8-7-22-18-29(40-28(22)19-23)26-4-1-2-5-27(26)39-17-3-6-30(36)37/h1-2,4-5,7-16,18-19,31H,3,6,17H2,(H,35,38)(H,36,37)
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| InChIKey |
JUSOMMXOAWTGPZ-UHFFFAOYSA-N
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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: PT01430, 3-oxo-5-alpha-steroid 4-dehydrogenase 1
Protein ID: PT01489, 3-oxo-5-alpha-steroid 4-dehydrogenase 2