General Information of the Compound
| Compound ID |
CP0463441
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| Compound Name |
4-[2-(6-{[Bis-(4-methoxy-phenyl)-methyl]-carbamoyl}-benzofuran-2-yl)-phenoxy]-butyric acid
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| Structure |
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| Formula |
C34H31NO7
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| Molecular Weight |
565.622
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| Canonical SMILES |
COc1ccc(cc1)C(NC(=O)c1ccc2cc(oc2c1)-c1ccccc1OCCCC(O)=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H31NO7/c1-39-26-15-11-22(12-16-26)33(23-13-17-27(40-2)18-14-23)35-34(38)25-10-9-24-20-31(42-30(24)21-25)28-6-3-4-7-29(28)41-19-5-8-32(36)37/h3-4,6-7,9-18,20-21,33H,5,8,19H2,1-2H3,(H,35,38)(H,36,37)
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| InChIKey |
YWWSOZJTTVIDTJ-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