General Information of the Compound
| Compound ID |
CP0534674
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| Compound Name |
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoylamino]benzamide;hydrochloride
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| Formula |
C23H31ClN4O3
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| Molecular Weight |
446.979
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| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CCCCC(=O)Nc2ccccc2C(N)=O)CC1
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| InChI |
InChI=1S/C23H30N4O3.ClH/c1-30-21-11-5-4-10-20(21)27-16-14-26(15-17-27)13-7-6-12-22(28)25-19-9-3-2-8-18(19)23(24)29;/h2-5,8-11H,6-7,12-17H2,1H3,(H2,24,29)(H,25,28);1H
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| InChIKey |
UAHLODPDQMVDNW-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