General Information of the Compound
| Compound ID |
CP0075994
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| Compound Name |
(2S)-1-(2-acetamidoacetyl)-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H38N4O6
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| Molecular Weight |
514.623
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C27H38N4O6/c1-17(2)13-20(24(34)27(4)16-37-27)29-25(35)21(14-19-9-6-5-7-10-19)30-26(36)22-11-8-12-31(22)23(33)15-28-18(3)32/h5-7,9-10,17,20-22H,8,11-16H2,1-4H3,(H,28,32)(H,29,35)(H,30,36)/t20-,21-,22-,27+/m0/s1
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| InChIKey |
QWEBSYDRFXZQMF-GHIUXRNCSA-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