General Information of the Compound
| Compound ID |
CP0443561
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| Compound Name |
3-[2-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]ethoxy]-N-[(4-methoxyphenyl)methyl]propanamide
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| Structure |
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| Formula |
C29H34FN3O3
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| Molecular Weight |
491.607
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| Canonical SMILES |
COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C29H34FN3O3/c1-35-26-12-6-23(7-13-26)22-31-29(34)14-20-36-21-19-32-15-17-33(18-16-32)28-5-3-2-4-27(28)24-8-10-25(30)11-9-24/h2-13H,14-22H2,1H3,(H,31,34)
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| InChIKey |
VRWVSOMLMPDDFC-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