General Information of the Compound
| Compound ID |
CP0549463
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| Compound Name |
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoylamino]benzamide;hydrochloride
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| Formula |
C22H29ClN4O3
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| Molecular Weight |
432.952
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| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CCCC(=O)Nc2ccccc2C(N)=O)CC1
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| InChI |
InChI=1S/C22H28N4O3.ClH/c1-29-20-10-5-4-9-19(20)26-15-13-25(14-16-26)12-6-11-21(27)24-18-8-3-2-7-17(18)22(23)28;/h2-5,7-10H,6,11-16H2,1H3,(H2,23,28)(H,24,27);1H
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| InChIKey |
YEPLFRAGZVDZKY-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