General Information of the Compound
| Compound ID |
CP0316986
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| Compound Name |
2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C20H19N5O
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| Molecular Weight |
345.406
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| Canonical SMILES |
NC(=O)c1cccc2nc([nH]c12)C1CCN(CC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H19N5O/c21-12-13-4-6-15(7-5-13)25-10-8-14(9-11-25)20-23-17-3-1-2-16(19(22)26)18(17)24-20/h1-7,14H,8-11H2,(H2,22,26)(H,23,24)
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| InChIKey |
VZMBLEKOYWPSPQ-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