General Information of the Compound
| Compound ID |
CP0529457
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| Compound Name |
(2S)-3-(4-cyclohexylcyclohexyl)-N-[(2S)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide
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| Structure |
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| Formula |
C36H54N4O6
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| Molecular Weight |
638.85
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCC(CC1)C1CCCCC1)NC(=O)CN1CCOCC1)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C36H54N4O6/c1-25(33(42)36(2)24-46-36)37-34(43)31(21-26-9-5-3-6-10-26)39-35(44)30(38-32(41)23-40-17-19-45-20-18-40)22-27-13-15-29(16-14-27)28-11-7-4-8-12-28/h3,5-6,9-10,25,27-31H,4,7-8,11-24H2,1-2H3,(H,37,43)(H,38,41)(H,39,44)/t25-,27?,29?,30-,31-,36+/m0/s1
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| InChIKey |
QXTARZYSNVSYGT-NORPNSNUSA-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