General Information of the Compound
| Compound ID |
CP0213035
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| Compound Name |
6-(4-luorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3-yl]-methyl}quinazolin-4(3H)-one
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| Structure |
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| Formula |
C23H26FN3O2
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| Molecular Weight |
395.478
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| Canonical SMILES |
CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
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| InChI |
InChI=1S/C23H26FN3O2/c1-16(2)26-11-3-4-17(13-26)14-27-15-25-22-10-9-20(12-21(22)23(27)28)29-19-7-5-18(24)6-8-19/h5-10,12,15-17H,3-4,11,13-14H2,1-2H3/t17-/m0/s1
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| InChIKey |
KVPCNAOFPBDLEG-KRWDZBQOSA-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