General Information of the Compound
| Compound ID |
CP0542419
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| Compound Name |
N-(4-butan-2-ylphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide;hydrochloride
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| Formula |
C26H38ClN3O2
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| Molecular Weight |
460.062
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| Canonical SMILES |
Cl.CCC(C)c1ccc(NC(=O)CCCCN2CCN(CC2)c2ccccc2OC)cc1
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| InChI |
InChI=1S/C26H37N3O2.ClH/c1-4-21(2)22-12-14-23(15-13-22)27-26(30)11-7-8-16-28-17-19-29(20-18-28)24-9-5-6-10-25(24)31-3;/h5-6,9-10,12-15,21H,4,7-8,11,16-20H2,1-3H3,(H,27,30);1H
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| InChIKey |
OPVMQLZTEHBYDT-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