General Information of the Compound
| Compound ID |
CP0232074
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| Compound Name |
3-phenyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)quinazolin-4(3H)-one
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| Structure |
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| Formula |
C28H29N3O2
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| Molecular Weight |
439.559
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| Canonical SMILES |
O=c1n(-c2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C28H29N3O2/c32-28-25-12-5-6-13-26(25)29-27(31(28)23-10-3-1-4-11-23)22-14-16-24(17-15-22)33-21-9-20-30-18-7-2-8-19-30/h1,3-6,10-17H,2,7-9,18-21H2
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| InChIKey |
MDGOMXLQCXHZJE-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