General Information of the Compound
| Compound ID |
CP0424482
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| Compound Name |
2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylquinazoline
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| Structure |
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| Formula |
C21H13F3N2S
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| Molecular Weight |
382.41
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| Canonical SMILES |
FC(F)(F)c1cccc(Sc2nc(nc3ccccc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C21H13F3N2S/c22-21(23,24)15-9-6-10-16(13-15)27-20-17-11-4-5-12-18(17)25-19(26-20)14-7-2-1-3-8-14/h1-13H
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| InChIKey |
TXXAVMLDHQSZSZ-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