General Information of the Compound
| Compound ID |
CP0410353
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| Compound Name |
3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzonitrile
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| Structure |
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| Formula |
C20H13N5
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| Molecular Weight |
323.359
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| Canonical SMILES |
N#Cc1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1
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| InChI |
InChI=1S/C20H13N5/c21-13-14-4-3-5-16(12-14)23-20-17-6-1-2-7-18(17)24-19(25-20)15-8-10-22-11-9-15/h1-12H,(H,23,24,25)
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| InChIKey |
GHFNCBXLFNBROT-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