General Information of the Compound
| Compound ID |
CP0094412
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| Compound Name |
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-methyl-5-(trifluoromethyl)-4(3H)-quinazolinone
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| Synonyms |
MK-3134
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| Structure |
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| Formula |
C25H26F3N3O2
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| Molecular Weight |
457.496
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| Canonical SMILES |
Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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| InChIKey |
ZWUFGBNOUKQGBR-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: PT01173, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound