General Information of the Compound
| Compound ID |
CP0485326
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| Compound Name |
(R)-3-((1-ethylpiperidin-3-yl)methyl)-6-(4-fluorophenyl)-2-isopropylquinazolin-4(3H)-one
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| Structure |
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| Formula |
C25H30FN3O
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| Molecular Weight |
407.533
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| Canonical SMILES |
CCN1CCC[C@@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(F)cc2)C(C)C)C1
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| InChI |
InChI=1S/C25H30FN3O/c1-4-28-13-5-6-18(15-28)16-29-24(17(2)3)27-23-12-9-20(14-22(23)25(29)30)19-7-10-21(26)11-8-19/h7-12,14,17-18H,4-6,13,15-16H2,1-3H3/t18-/m1/s1
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| InChIKey |
VEJYZHHHRRWZDS-GOSISDBHSA-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