General Information of the Compound
| Compound ID |
CP0467373
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| Compound Name |
3-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C18H20ClN3O
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| Molecular Weight |
329.831
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| Canonical SMILES |
Clc1cccc(c1)-c1cccnc1C(=O)NCC1CCNCC1
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| InChI |
InChI=1S/C18H20ClN3O/c19-15-4-1-3-14(11-15)16-5-2-8-21-17(16)18(23)22-12-13-6-9-20-10-7-13/h1-5,8,11,13,20H,6-7,9-10,12H2,(H,22,23)
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| InChIKey |
GVTOFEKADWHILK-UHFFFAOYSA-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