General Information of the Compound
| Compound ID |
CP0232071
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| Compound Name |
3-benzyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)quinazolin-4(3H)-one
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| Structure |
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| Formula |
C29H31N3O2
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| Molecular Weight |
453.586
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| Canonical SMILES |
O=c1n(Cc2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C29H31N3O2/c33-29-26-12-5-6-13-27(26)30-28(32(29)22-23-10-3-1-4-11-23)24-14-16-25(17-15-24)34-21-9-20-31-18-7-2-8-19-31/h1,3-6,10-17H,2,7-9,18-22H2
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| InChIKey |
YOQCIOKHHDUPPQ-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