General Information of the Compound
| Compound ID |
CP0155960
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| Compound Name |
N-[2-[(2S)-2-cyanopiperidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C19H19N3O2
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| Molecular Weight |
321.38
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| Canonical SMILES |
O=C(CNC(=O)c1cccc2ccccc12)N1CCCC[C@H]1C#N
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| InChI |
InChI=1S/C19H19N3O2/c20-12-15-8-3-4-11-22(15)18(23)13-21-19(24)17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15H,3-4,8,11,13H2,(H,21,24)/t15-/m0/s1
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| InChIKey |
XTLCRXIPSGQUNE-HNNXBMFYSA-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