General Information of the Compound
| Compound ID |
CP0372875
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| Compound Name |
2-Methyl-3-(4-{[3-(1-piperidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C23H27N3O2/c1-18-24-22-9-4-3-8-21(22)23(27)26(18)19-10-12-20(13-11-19)28-17-7-16-25-14-5-2-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
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| InChIKey |
SNAHQQBXZGIQLV-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: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2