General Information of the Compound
| Compound ID |
CP0419357
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| Compound Name |
4-[[[(2S)-2-(4-phenylmethoxyphenyl)-2-(3-phenylpropanoylamino)acetyl]amino]methyl]benzamide
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| Formula |
C32H31N3O4
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| Molecular Weight |
521.617
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| Canonical SMILES |
NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)CCc2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C32H31N3O4/c33-31(37)27-14-11-24(12-15-27)21-34-32(38)30(35-29(36)20-13-23-7-3-1-4-8-23)26-16-18-28(19-17-26)39-22-25-9-5-2-6-10-25/h1-12,14-19,30H,13,20-22H2,(H2,33,37)(H,34,38)(H,35,36)/t30-/m0/s1
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| InChIKey |
HXXSZHHQUWRWNJ-PMERELPUSA-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