General Information of the Compound
| Compound ID |
CP0297753
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| Compound Name |
2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-7-(trifluoromethyl)-4(3H)-quinazolinone
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| Structure |
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| Formula |
C23H24F3N3O2
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| Molecular Weight |
431.458
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| Canonical SMILES |
Cc1nc2cc(ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N3O2/c1-16-27-21-15-17(23(24,25)26)5-10-20(21)22(30)29(16)18-6-8-19(9-7-18)31-14-4-13-28-11-2-3-12-28/h5-10,15H,2-4,11-14H2,1H3
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| InChIKey |
KOIGSMNZEUZGPK-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