General Information of the Compound
| Compound ID |
CP0495579
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| Compound Name |
5-chloro-N-[(2S)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-2-phenylmethoxybenzamide
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| Structure |
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| Formula |
C29H31ClN2O4
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| Molecular Weight |
507.03
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| Canonical SMILES |
CC(C)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1OCc1ccccc1)C=O
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| InChI |
InChI=1S/C29H31ClN2O4/c1-20(2)15-24(18-33)31-29(35)26(16-21-9-5-3-6-10-21)32-28(34)25-17-23(30)13-14-27(25)36-19-22-11-7-4-8-12-22/h3-14,17-18,20,24,26H,15-16,19H2,1-2H3,(H,31,35)(H,32,34)/t24?,26-/m0/s1
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| InChIKey |
JPGQZDJCLQNBSC-JKGBFCRXSA-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