General Information of the Compound
| Compound ID |
CP0397661
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| Compound Name |
3-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]benzonitrile
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| Structure |
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| Formula |
C15H12N4O
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| Molecular Weight |
264.288
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| Canonical SMILES |
O=C1CCCc2nc(Nc3cccc(c3)C#N)ncc12
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| InChI |
InChI=1S/C15H12N4O/c16-8-10-3-1-4-11(7-10)18-15-17-9-12-13(19-15)5-2-6-14(12)20/h1,3-4,7,9H,2,5-6H2,(H,17,18,19)
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| InChIKey |
POSMUJQZGLBEIJ-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
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Protein ID: PT00854, Metabotropic glutamate receptor 5