General Information of the Compound
| Compound ID |
CP0055759
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| Compound Name |
2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
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| Structure |
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| Formula |
C15H16ClN3O2
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| Molecular Weight |
305.765
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| Canonical SMILES |
Clc1ccc(CC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1
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| InChI |
InChI=1S/C15H16ClN3O2/c16-12-5-3-11(4-6-12)8-14(20)18-10-15(21)19-7-1-2-13(19)9-17/h3-6,13H,1-2,7-8,10H2,(H,18,20)/t13-/m0/s1
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| InChIKey |
UOSJMPWHXCJRPO-ZDUSSCGKSA-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