General Information of the Compound
| Compound ID |
CP0512459
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| Compound Name |
N-[(2-methoxyphenyl)methyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide;hydrochloride
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| Formula |
C23H32ClN3O3
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| Molecular Weight |
433.98
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| Canonical SMILES |
Cl.COc1ccccc1CNC(=O)CCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C23H31N3O3.ClH/c1-28-21-10-5-3-8-19(21)18-24-23(27)12-7-13-25-14-16-26(17-15-25)20-9-4-6-11-22(20)29-2;/h3-6,8-11H,7,12-18H2,1-2H3,(H,24,27);1H
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| InChIKey |
ZVBFSTQJKLZFPQ-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