General Information of the Compound
| Compound ID |
CP0449760
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| Compound Name |
6-N-[(6-bromopyridin-2-yl)methyl]-4-N-(3-chlorophenyl)quinazoline-4,6-diamine
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| Structure |
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| Formula |
C20H15BrClN5
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| Molecular Weight |
440.732
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NCc4cccc(Br)n4)cc23)c1
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| InChI |
InChI=1S/C20H15BrClN5/c21-19-6-2-5-16(26-19)11-23-14-7-8-18-17(10-14)20(25-12-24-18)27-15-4-1-3-13(22)9-15/h1-10,12,23H,11H2,(H,24,25,27)
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| InChIKey |
XHUZJXRMBAZZTJ-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