General Information of the Compound
Compound ID |
CP0546990
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Compound Name |
4-[[[(2S)-2-[(4-phenoxybenzoyl)amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]methyl]benzamide
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Formula |
C36H31N3O5
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Molecular Weight |
585.66
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Canonical SMILES |
NC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OCc3ccccc3)cc2)cc1
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InChI |
InChI=1S/C36H31N3O5/c37-34(40)28-13-11-25(12-14-28)23-38-36(42)33(27-15-19-30(20-16-27)43-24-26-7-3-1-4-8-26)39-35(41)29-17-21-32(22-18-29)44-31-9-5-2-6-10-31/h1-22,33H,23-24H2,(H2,37,40)(H,38,42)(H,39,41)/t33-/m0/s1
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InChIKey |
GWDSQJHJVWVYHT-XIFFEERXSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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