General Information of the Compound
| Compound ID |
CP0439485
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| Compound Name |
(R)-6-(4-chlorophenyl)-3-((1-ethylpiperidin-3-yl)methyl)-2-(4-(trifluoromethyl)phenyl)quinazolin-4(3H)-one
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| Structure |
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| Formula |
C29H27ClF3N3O
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| Molecular Weight |
526.002
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| Canonical SMILES |
CCN1CCC[C@@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccc(cc2)C(F)(F)F)C1
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| InChI |
InChI=1S/C29H27ClF3N3O/c1-2-35-15-3-4-19(17-35)18-36-27(21-5-10-23(11-6-21)29(31,32)33)34-26-14-9-22(16-25(26)28(36)37)20-7-12-24(30)13-8-20/h5-14,16,19H,2-4,15,17-18H2,1H3/t19-/m1/s1
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| InChIKey |
CIBAYWPDYJITNN-LJQANCHMSA-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