General Information of the Compound
| Compound ID |
CP0432409
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| Compound Name |
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-6,7-difluoro-2-methyl-4(3H)-quinazolinone
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| Structure |
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| Formula |
C24H25F2N3O2
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| Molecular Weight |
425.479
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| Canonical SMILES |
Cc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C24H25F2N3O2/c1-15-27-23-14-22(26)21(25)13-20(23)24(30)29(15)17-5-7-18(8-6-17)31-19-9-11-28(12-10-19)16-3-2-4-16/h5-8,13-14,16,19H,2-4,9-12H2,1H3
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| InChIKey |
CVVBOEYFLVYBMA-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