General Information of the Compound
| Compound ID |
CP0559847
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| Compound Name |
4-[(3-Bromophenyl)amino]-6,7-dimethoxy-2-methylquinazoline Hydrochloride
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| Structure |
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| Formula |
C17H16BrN3O2
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| Molecular Weight |
374.238
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| Canonical SMILES |
COc1cc2nc(C)nc(Nc3cccc(Br)c3)c2cc1OC
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| InChI |
InChI=1S/C17H16BrN3O2/c1-10-19-14-9-16(23-3)15(22-2)8-13(14)17(20-10)21-12-6-4-5-11(18)7-12/h4-9H,1-3H3,(H,19,20,21)
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| InChIKey |
YDJAVBPPDOYWGD-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