General Information of the Compound
| Compound ID |
CP0416576
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| Compound Name |
N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-3-ylacetamide
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
O=C(Cc1cccnc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H28N4O/c30-25(19-22-5-4-13-26-20-22)27-23-10-8-21(9-11-23)12-14-28-15-17-29(18-16-28)24-6-2-1-3-7-24/h1-11,13,20H,12,14-19H2,(H,27,30)
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| InChIKey |
NBCJLBREZDSSBC-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: PT01005, D(2) dopamine receptor