General Information of the Compound
| Compound ID |
CP0553144
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| Compound Name |
4-(8-Methoxy-4-oxo-3,4-dihydro-quinazolin-2-yl)-benzonitrile
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| Structure |
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| Formula |
C16H11N3O2
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| Molecular Weight |
277.283
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| Canonical SMILES |
COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C16H11N3O2/c1-21-13-4-2-3-12-14(13)18-15(19-16(12)20)11-7-5-10(9-17)6-8-11/h2-8H,1H3,(H,18,19,20)
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| InChIKey |
NRHBAZUXKYNQEX-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