General Information of the Compound
| Compound ID |
CP0296278
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| Compound Name |
8-chloro-2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
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| Structure |
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| Formula |
C24H26ClN3O2
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| Molecular Weight |
423.944
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| Canonical SMILES |
Cn1c(nc2c(Cl)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C24H26ClN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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| InChIKey |
LMTYPQWFGWYHMH-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