General Information of the Compound
| Compound ID |
CP0042238
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| Compound Name |
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-methoxy-3-methylquinazolin-4(3H)-one
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| Structure |
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
COc1ccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c2c1
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| InChI |
InChI=1S/C25H29N3O3/c1-27-24(26-23-11-10-21(30-2)16-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
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| InChIKey |
AKNFPZICZLISBZ-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2