General Information of the Compound
| Compound ID |
CP0565302
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| Compound Name |
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
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| Formula |
C24H34ClN3O2
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| Molecular Weight |
432.008
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| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(cc2)C(C)C)CC1
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| InChI |
InChI=1S/C24H33N3O2.ClH/c1-19(2)20-10-12-21(13-11-20)25-24(28)9-6-14-26-15-17-27(18-16-26)22-7-4-5-8-23(22)29-3;/h4-5,7-8,10-13,19H,6,9,14-18H2,1-3H3,(H,25,28);1H
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| InChIKey |
KCKXVWGETQBHFM-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