General Information of the Compound
| Compound ID |
CP0485200
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| Compound Name |
(R)-3-((1-ethylpiperidin-3-yl)methyl)-2-o-tolyl-6-(trifluoromethoxy)quinazolin-4(3H)-one
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| Structure |
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| Formula |
C24H26F3N3O2
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| Molecular Weight |
445.485
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| Canonical SMILES |
CCN1CCC[C@@H](Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
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| InChI |
InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3/t17-/m1/s1
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| InChIKey |
TYPWWUNYYCVRRR-QGZVFWFLSA-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