General Information of the Compound
| Compound ID |
CP0130380
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| Compound Name |
3-[(6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
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| Structure |
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| Formula |
C17H14N4O2
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| Molecular Weight |
306.325
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(c3)C#N)c2cc1OC
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| InChI |
InChI=1S/C17H14N4O2/c1-22-15-7-13-14(8-16(15)23-2)19-10-20-17(13)21-12-5-3-4-11(6-12)9-18/h3-8,10H,1-2H3,(H,19,20,21)
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| InChIKey |
DTUCHVRTWHBOKV-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