General Information of the Compound
| Compound ID |
CP0247122
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| Compound Name |
(2S)-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
O=C(N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N)[C@@H]1CCCCN1
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| InChI |
InChI=1S/C21H23N3O/c22-15-19(24-21(25)20-8-4-5-13-23-20)14-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-3,6-7,9-12,19-20,23H,4-5,8,13-14H2,(H,24,25)/t19-,20-/m0/s1
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| InChIKey |
AGQMDQHFBCAQCC-PMACEKPBSA-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