General Information of the Compound
| Compound ID |
CP0548216
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| Compound Name |
N-(3-fluorophenyl)-6-nitro-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
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| Structure |
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| Formula |
C21H12F4N4O2
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| Molecular Weight |
428.345
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(nc(Nc3cccc(F)c3)c2c1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H12F4N4O2/c22-14-5-2-6-15(10-14)26-20-17-11-16(29(30)31)7-8-18(17)27-19(28-20)12-3-1-4-13(9-12)21(23,24)25/h1-11H,(H,26,27,28)
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| InChIKey |
AXIDQHHKFZQQMS-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