General Information of the Compound
| Compound ID |
CP0549301
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| Compound Name |
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C25H33ClN4O2
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| Molecular Weight |
457.018
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C25H33ClN4O2/c1-2-32-24-9-4-3-8-23(24)29-14-12-27(13-15-29)11-10-25(31)30-18-16-28(17-19-30)22-7-5-6-21(26)20-22/h3-9,20H,2,10-19H2,1H3
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| InChIKey |
NWEUYCGJFOKESD-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