General Information of the Compound
| Compound ID |
CP0511767
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| Compound Name |
(2R)-1-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)-3-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]propan-2-ol
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| Formula |
C33H34N4O3
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| Molecular Weight |
534.66
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1
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| InChI |
InChI=1S/C33H34N4O3/c1-39-28-13-9-25(10-14-28)30-6-2-3-7-32(30)36-20-18-35(19-21-36)22-27(38)24-40-29-15-11-26(12-16-29)31-23-37-17-5-4-8-33(37)34-31/h2-17,23,27,38H,18-22,24H2,1H3/t27-/m1/s1
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| InChIKey |
UMIUFZIZERXHBB-HHHXNRCGSA-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