General Information of the Compound
| Compound ID |
CP0463696
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| Compound Name |
4-{2-[6-(Benzhydryl-carbamoyl)-benzofuran-2-yl]-phenoxy}-butyric acid
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| Structure |
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| Formula |
C32H27NO5
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| Molecular Weight |
505.57
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| Canonical SMILES |
OC(=O)CCCOc1ccccc1-c1cc2ccc(cc2o1)C(=O)NC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H27NO5/c34-30(35)16-9-19-37-27-15-8-7-14-26(27)29-20-24-17-18-25(21-28(24)38-29)32(36)33-31(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,17-18,20-21,31H,9,16,19H2,(H,33,36)(H,34,35)
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| InChIKey |
YUEWUJHHFXPSJH-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