General Information of the Compound
| Compound ID |
CP0429809
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| Compound Name |
3-[2-[(Benzhydrylamino)carbonyl]-4-(phenoxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C30H27NO4
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| Molecular Weight |
465.549
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| Canonical SMILES |
OC(=O)CCc1ccc(COc2ccccc2)cc1C(=O)NC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H27NO4/c32-28(33)19-18-23-17-16-22(21-35-26-14-8-3-9-15-26)20-27(23)30(34)31-29(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-17,20,29H,18-19,21H2,(H,31,34)(H,32,33)
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| InChIKey |
WOEOAMPTNIVKGR-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