General Information of the Compound
| Compound ID |
CP0376744
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| Compound Name |
N-[(4-cyanophenyl)methyl]-3-[2-[4-[3-(4-fluorophenyl)pyridin-2-yl]piperazin-1-yl]ethoxy]propanamide
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| Structure |
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| Formula |
C28H30FN5O2
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| Molecular Weight |
487.579
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| Canonical SMILES |
Fc1ccc(cc1)-c1cccnc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C28H30FN5O2/c29-25-9-7-24(8-10-25)26-2-1-12-31-28(26)34-15-13-33(14-16-34)17-19-36-18-11-27(35)32-21-23-5-3-22(20-30)4-6-23/h1-10,12H,11,13-19,21H2,(H,32,35)
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| InChIKey |
DZHFAWUKQABZMD-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor