General Information of the Compound
| Compound ID |
CP0468683
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| Compound Name |
5-chloro-N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-2-phenylmethoxybenzamide
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| Structure |
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| Formula |
C35H42ClN3O5
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| Molecular Weight |
620.19
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1)C=O
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| InChI |
InChI=1S/C35H42ClN3O5/c1-23(2)17-28(21-40)37-34(42)31(19-25-11-7-5-8-12-25)39-35(43)30(18-24(3)4)38-33(41)29-20-27(36)15-16-32(29)44-22-26-13-9-6-10-14-26/h5-16,20-21,23-24,28,30-31H,17-19,22H2,1-4H3,(H,37,42)(H,38,41)(H,39,43)/t28-,30-,31-/m0/s1
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| InChIKey |
QMLMSASDAACMOZ-ASVWTAOFSA-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