General Information of the Compound
| Compound ID |
CP0579128
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| Compound Name |
benzyl N-[(2S)-1-(2-cyanoethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
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| Structure |
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| Formula |
C20H21N3O3
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| Molecular Weight |
351.406
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| Canonical SMILES |
O=C(N[C@@H](Cc1ccccc1)C(=O)NCCC#N)OCc1ccccc1
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| InChI |
InChI=1S/C20H21N3O3/c21-12-7-13-22-19(24)18(14-16-8-3-1-4-9-16)23-20(25)26-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,13-15H2,(H,22,24)(H,23,25)/t18-/m0/s1
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| InChIKey |
RRDFQSSXRRLDNP-SFHVURJKSA-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