General Information of the Compound
| Compound ID |
CP0439084
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| Compound Name |
6-bromo-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C15H9BrF3N3
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| Molecular Weight |
368.156
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2ncnc3ccc(Br)cc23)c1
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| InChI |
InChI=1S/C15H9BrF3N3/c16-10-4-5-13-12(7-10)14(21-8-20-13)22-11-3-1-2-9(6-11)15(17,18)19/h1-8H,(H,20,21,22)
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| InChIKey |
DSKPAROKUPBYQP-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