General Information of the Compound
| Compound ID |
CP0546991
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| Compound Name |
3-[[(2S)-2-[(4-benzoylbenzoyl)amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
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| Formula |
C36H29N3O5
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| Molecular Weight |
583.644
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)C(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C36H29N3O5/c37-34(41)29-12-7-13-30(22-29)38-36(43)32(25-18-20-31(21-19-25)44-23-24-8-3-1-4-9-24)39-35(42)28-16-14-27(15-17-28)33(40)26-10-5-2-6-11-26/h1-22,32H,23H2,(H2,37,41)(H,38,43)(H,39,42)/t32-/m0/s1
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| InChIKey |
YDKNVMSNEVUUBN-YTTGMZPUSA-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