General Information of the Compound
| Compound ID |
CP0484313
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| Compound Name |
4-[(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]benzonitrile
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| Structure |
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| Formula |
C16H14N4O
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| Molecular Weight |
278.315
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| Canonical SMILES |
CC1CC(=O)c2cnc(Nc3ccc(cc3)C#N)nc2C1
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| InChI |
InChI=1S/C16H14N4O/c1-10-6-14-13(15(21)7-10)9-18-16(20-14)19-12-4-2-11(8-17)3-5-12/h2-5,9-10H,6-7H2,1H3,(H,18,19,20)
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| InChIKey |
VGURZLASLJXNAV-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