General Information of the Compound
| Compound ID |
CP0523812
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| Compound Name |
2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
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| Structure |
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| Formula |
C20H21N3O
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| Molecular Weight |
319.408
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| Canonical SMILES |
O=C(NCC1CCNCC1)c1ccccc1-c1cccc(c1)C#N
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| InChI |
InChI=1S/C20H21N3O/c21-13-16-4-3-5-17(12-16)18-6-1-2-7-19(18)20(24)23-14-15-8-10-22-11-9-15/h1-7,12,15,22H,8-11,14H2,(H,23,24)
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| InChIKey |
JFJQHAZGJMUWMV-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