General Information of the Compound
| Compound ID |
CP0432410
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| Compound Name |
3-(4-[(1-Cyclopentyl-4-azepanyl)oxy]phenyl)-2-methyl-4(3H)-quinazolinone
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| Structure |
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| Formula |
C26H31N3O2
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| Molecular Weight |
417.553
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| Canonical SMILES |
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCCN(CC2)C2CCCC2)cc1
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| InChI |
InChI=1S/C26H31N3O2/c1-19-27-25-11-5-4-10-24(25)26(30)29(19)21-12-14-23(15-13-21)31-22-9-6-17-28(18-16-22)20-7-2-3-8-20/h4-5,10-15,20,22H,2-3,6-9,16-18H2,1H3
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| InChIKey |
UYLPCDWAUMDYPN-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: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2