General Information of the Compound
| Compound ID |
CP0486336
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| Compound Name |
(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]propan-2-ol
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| Formula |
C34H35N3O3
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| Molecular Weight |
533.672
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1
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| InChI |
InChI=1S/C34H35N3O3/c1-39-29-13-9-25(10-14-29)31-6-2-3-7-32(31)26-17-20-36(21-18-26)22-28(38)24-40-30-15-11-27(12-16-30)33-23-37-19-5-4-8-34(37)35-33/h2-16,19,23,26,28,38H,17-18,20-22,24H2,1H3/t28-/m1/s1
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| InChIKey |
FFVPXLHERBCGNG-MUUNZHRXSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2