General Information of the Compound
| Compound ID |
CP0559450
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| Compound Name |
3-[[(2S)-2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[(4-phenoxybenzoyl)amino]acetyl]amino]benzamide
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| Formula |
C35H27Cl2N3O5
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| Molecular Weight |
640.523
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1
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| InChI |
InChI=1S/C35H27Cl2N3O5/c36-30-10-5-11-31(37)29(30)21-44-26-16-12-22(13-17-26)32(35(43)39-25-7-4-6-24(20-25)33(38)41)40-34(42)23-14-18-28(19-15-23)45-27-8-2-1-3-9-27/h1-20,32H,21H2,(H2,38,41)(H,39,43)(H,40,42)/t32-/m0/s1
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| InChIKey |
ORPVMUZHOAROPJ-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