General Information of the Compound
| Compound ID |
CP0526874
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| Compound Name |
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]quinazoline-4,6-diamine
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| Structure |
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| Formula |
C21H16BrClN4
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| Molecular Weight |
439.744
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| Canonical SMILES |
Clc1ccc(CNc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
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| InChI |
InChI=1S/C21H16BrClN4/c22-15-2-1-3-18(10-15)27-21-19-11-17(8-9-20(19)25-13-26-21)24-12-14-4-6-16(23)7-5-14/h1-11,13,24H,12H2,(H,25,26,27)
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| InChIKey |
FTNWRSGFFBRJTK-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