General Information of the Compound
| Compound ID |
CP0495582
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| Compound Name |
5-chloro-N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-2-phenylmethoxybenzamide
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| Structure |
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| Formula |
C32H44ClN3O5
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| Molecular Weight |
586.173
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1)C=O
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| InChI |
InChI=1S/C32H44ClN3O5/c1-20(2)14-25(18-37)34-31(39)27(15-21(3)4)36-32(40)28(16-22(5)6)35-30(38)26-17-24(33)12-13-29(26)41-19-23-10-8-7-9-11-23/h7-13,17-18,20-22,25,27-28H,14-16,19H2,1-6H3,(H,34,39)(H,35,38)(H,36,40)/t25-,27-,28-/m0/s1
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| InChIKey |
ZYQSUKWJMFEFFA-MYKRZTLLSA-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