General Information of the Compound
| Compound ID |
CP0486748
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| Compound Name |
N-[(4-methoxyphenyl)methyl]-3-[2-[4-[2-(2-methylphenyl)phenyl]piperazin-1-yl]ethoxy]propanamide
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| Structure |
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| Formula |
C30H37N3O3
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| Molecular Weight |
487.644
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| Canonical SMILES |
COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccccc2C)cc1
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| InChI |
InChI=1S/C30H37N3O3/c1-24-7-3-4-8-27(24)28-9-5-6-10-29(28)33-18-16-32(17-19-33)20-22-36-21-15-30(34)31-23-25-11-13-26(35-2)14-12-25/h3-14H,15-23H2,1-2H3,(H,31,34)
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| InChIKey |
DMQUHZAYPOZSTL-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