General Information of the Compound
| Compound ID |
CP0498998
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| Compound Name |
2-Methyl-3-(4-{[3-(3-methyl-1-pyrrolidinyl)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 |
CC1CCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1
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| InChI |
InChI=1S/C23H27N3O2/c1-17-12-14-25(16-17)13-5-15-28-20-10-8-19(9-11-20)26-18(2)24-22-7-4-3-6-21(22)23(26)27/h3-4,6-11,17H,5,12-16H2,1-2H3
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| InChIKey |
IDSIKSVHBPFOAK-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