General Information of the Compound
| Compound ID |
CP0559003
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| Compound Name |
4-[methyl-(2-phenylquinazolin-4-yl)amino]benzonitrile
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| Structure |
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| Formula |
C22H16N4
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| Molecular Weight |
336.398
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| Canonical SMILES |
CN(c1ccc(cc1)C#N)c1nc(nc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C22H16N4/c1-26(18-13-11-16(15-23)12-14-18)22-19-9-5-6-10-20(19)24-21(25-22)17-7-3-2-4-8-17/h2-14H,1H3
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| InChIKey |
ZNTGNFVBQLQUQQ-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