General Information of the Compound
| Compound ID |
CP0147754
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| Compound Name |
(2E)-N-[4-(3-Bromoanilino)-6-quinazolinyl]-4,4,4-trifluoro-2-butenamide
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| Structure |
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| Formula |
C18H12BrF3N4O
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| Molecular Weight |
437.219
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| Canonical SMILES |
FC(F)(F)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C18H12BrF3N4O/c19-11-2-1-3-12(8-11)26-17-14-9-13(4-5-15(14)23-10-24-17)25-16(27)6-7-18(20,21)22/h1-10H,(H,25,27)(H,23,24,26)/b7-6+
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| InChIKey |
IINXAWRVTBPNCW-VOTSOKGWSA-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