General Information of the Compound
| Compound ID |
CP0387559
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| Compound Name |
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-methoxy-2-methyl-4(3H)-quinazolinone
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| Structure |
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
COc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
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| InChI |
InChI=1S/C25H29N3O3/c1-17-26-22-7-4-8-23(30-2)24(22)25(29)28(17)19-9-11-20(12-10-19)31-21-13-15-27(16-14-21)18-5-3-6-18/h4,7-12,18,21H,3,5-6,13-16H2,1-2H3
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| InChIKey |
MQCHIKVWSTVDAI-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