General Information of the Compound
| Compound ID |
CP0520026
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| Compound Name |
5-chloro-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]amino]pentan-2-yl]-2-phenylmethoxybenzamide
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| Structure |
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| Formula |
C38H40ClN3O5
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| Molecular Weight |
654.207
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C=O
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| InChI |
InChI=1S/C38H40ClN3O5/c1-26(2)20-33(41-36(44)32-23-30(39)18-19-35(32)47-25-29-16-10-5-11-17-29)38(46)42-34(22-28-14-8-4-9-15-28)37(45)40-31(24-43)21-27-12-6-3-7-13-27/h3-19,23-24,26,31,33-34H,20-22,25H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t31?,33-,34-/m0/s1
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| InChIKey |
JXLRSGZBTMKOCD-MMNWNWMFSA-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