General Information of the Compound
| Compound ID |
CP0557217
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| Compound Name |
N-[2-(cyanomethyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C18H13N3O2
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| Molecular Weight |
303.321
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| Canonical SMILES |
O=C(Nc1ccccc1CC#N)c1c[nH]c2ccccc2c1=O
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| InChI |
InChI=1S/C18H13N3O2/c19-10-9-12-5-1-3-7-15(12)21-18(23)14-11-20-16-8-4-2-6-13(16)17(14)22/h1-8,11H,9H2,(H,20,22)(H,21,23)
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| InChIKey |
OMRVXEFUCYRWKX-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