General Information of the Compound
| Compound ID |
CP0512799
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| Compound Name |
5-chloro-2-hydroxy-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]benzamide
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| Structure |
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| Formula |
C28H36ClN3O5
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| Molecular Weight |
530.065
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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)ccc1O)C=O
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| InChI |
InChI=1S/C28H36ClN3O5/c1-17(2)12-21(16-33)30-27(36)24(14-19-8-6-5-7-9-19)32-28(37)23(13-18(3)4)31-26(35)22-15-20(29)10-11-25(22)34/h5-11,15-18,21,23-24,34H,12-14H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t21-,23-,24-/m0/s1
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| InChIKey |
MCPWUIBJWQADSQ-XWGVYQGASA-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