General Information of the Compound
| Compound ID |
CP0552306
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| Compound Name |
2-[4-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
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| Formula |
C35H37N3O2
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| Molecular Weight |
531.7
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2ccc(cc2)-c2cn3ccccc3n2)CC1
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| InChI |
InChI=1S/C35H37N3O2/c1-39-30-15-11-27(12-16-30)32-8-2-3-9-33(32)28-19-23-37(24-20-28)21-6-7-25-40-31-17-13-29(14-18-31)34-26-38-22-5-4-10-35(38)36-34/h2-5,8-18,22,26,28H,6-7,19-21,23-25H2,1H3
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| InChIKey |
JMHXTWLKNVEBDQ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7