General Information of the Compound
| Compound ID |
CP0552402
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| Compound Name |
3-[[(2S)-2-[[4-(4-chlorophenyl)benzoyl]amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
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| Formula |
C35H28ClN3O4
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| Molecular Weight |
590.079
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C35H28ClN3O4/c36-29-17-13-25(14-18-29)24-9-11-27(12-10-24)34(41)39-32(35(42)38-30-8-4-7-28(21-30)33(37)40)26-15-19-31(20-16-26)43-22-23-5-2-1-3-6-23/h1-21,32H,22H2,(H2,37,40)(H,38,42)(H,39,41)/t32-/m0/s1
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| InChIKey |
NSHQSXPCCFLJPR-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