General Information of the Compound
| Compound ID |
CP0384409
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| Compound Name |
7-fluoro-2-[(3S)-4-methyl-3-propan-2-ylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
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| Structure |
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| Formula |
C23H24F4N4O
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| Molecular Weight |
448.464
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| Canonical SMILES |
CC(C)[C@H]1CN(CCN1C)c1nc2cc(F)ccc2c(=O)n1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F4N4O/c1-14(2)20-13-30(11-10-29(20)3)22-28-19-12-16(24)6-9-18(19)21(32)31(22)17-7-4-15(5-8-17)23(25,26)27/h4-9,12,14,20H,10-11,13H2,1-3H3/t20-/m1/s1
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| InChIKey |
FPPDJHDANGQLEF-HXUWFJFHSA-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