General Information of the Compound
| Compound ID |
CP0531484
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| Compound Name |
(2S)-N-[(1S)-2-[[(2R)-3-(4-cyanophenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxo-1-phenylethyl]oxirane-2-carboxamide
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| Formula |
C22H22N4O4
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| Molecular Weight |
406.442
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| Canonical SMILES |
CNC(=O)[C@@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](NC(=O)[C@@H]1CO1)c1ccccc1
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| InChI |
InChI=1S/C22H22N4O4/c1-24-20(27)17(11-14-7-9-15(12-23)10-8-14)25-22(29)19(16-5-3-2-4-6-16)26-21(28)18-13-30-18/h2-10,17-19H,11,13H2,1H3,(H,24,27)(H,25,29)(H,26,28)/t17-,18+,19+/m1/s1
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| InChIKey |
WAIWNRUDVDWHHE-QYZOEREBSA-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