General Information of the Compound
| Compound ID |
CP0439085
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| Compound Name |
N-(3-chloro-2-fluorophenyl)-6-fluoroquinazolin-4-amine
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| Structure |
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| Formula |
C14H8ClF2N3
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| Molecular Weight |
291.688
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| Canonical SMILES |
Fc1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
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| InChI |
InChI=1S/C14H8ClF2N3/c15-10-2-1-3-12(13(10)17)20-14-9-6-8(16)4-5-11(9)18-7-19-14/h1-7H,(H,18,19,20)
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| InChIKey |
PKHOAWYDZFEZPR-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