General Information of the Compound
| Compound ID |
CP0454297
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| Compound Name |
(3-Chloro-4-fluoro-phenyl)-(6,7-dimethoxy-quinazolin-4-yl)-diazene
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| Formula |
C16H12ClFN4O2
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| Molecular Weight |
346.749
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| Canonical SMILES |
COc1cc2ncnc(\N=N\c3ccc(F)c(Cl)c3)c2cc1OC
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| InChI |
InChI=1S/C16H12ClFN4O2/c1-23-14-6-10-13(7-15(14)24-2)19-8-20-16(10)22-21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3/b22-21+
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| InChIKey |
NGTVEVLNKYECME-QURGRASLSA-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