General Information of the Compound
| Compound ID |
CP0253727
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| Compound Name |
2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
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| Structure |
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| Formula |
C25H29N3O2
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| Molecular Weight |
403.526
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| Canonical SMILES |
Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
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| InChI |
InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3
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| InChIKey |
GHDVYRGWQMIMIH-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