General Information of the Compound
| Compound ID |
CP0569053
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| Compound Name |
2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]butoxy]benzonitrile
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| Formula |
C28H31N3O2
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| Molecular Weight |
441.575
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccccc2C#N)CC1
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| InChI |
InChI=1S/C28H31N3O2/c1-32-25-14-12-23(13-15-25)26-9-3-4-10-27(26)31-19-17-30(18-20-31)16-6-7-21-33-28-11-5-2-8-24(28)22-29/h2-5,8-15H,6-7,16-21H2,1H3
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| InChIKey |
KEHDQKIGIJYMOP-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