General Information of the Compound
| Compound ID |
CP0399776
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| Compound Name |
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-7-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 |
COc1ccc2c(c1)nc(C)n(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)c2=O
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| InChI |
InChI=1S/C25H29N3O3/c1-17-26-24-16-22(30-2)10-11-23(24)25(29)28(17)19-6-8-20(9-7-19)31-21-12-14-27(15-13-21)18-4-3-5-18/h6-11,16,18,21H,3-5,12-15H2,1-2H3
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| InChIKey |
KRBPBDKNTPVHRB-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