General Information of the Compound
| Compound ID |
CP0477268
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| Compound Name |
7-fluoro-3-[4-(trifluoromethyl)phenyl]-2-(3,3,4-trimethylpiperazin-1-yl)quinazolin-4-one
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| Structure |
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| Formula |
C22H22F4N4O
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| Molecular Weight |
434.437
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| Canonical SMILES |
CN1CCN(CC1(C)C)c1nc2cc(F)ccc2c(=O)n1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F4N4O/c1-21(2)13-29(11-10-28(21)3)20-27-18-12-15(23)6-9-17(18)19(31)30(20)16-7-4-14(5-8-16)22(24,25)26/h4-9,12H,10-11,13H2,1-3H3
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| InChIKey |
XGLOHHQCCZLVKP-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