General Information of the Compound
| Compound ID |
CP0376748
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| Compound Name |
6-[4-[2-(4-cyanophenyl)-4-fluorophenyl]piperazin-1-yl]-N-[(4-cyanophenyl)methyl]hexanamide
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| Structure |
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| Formula |
C31H32FN5O
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| Molecular Weight |
509.629
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| Canonical SMILES |
Fc1ccc(N2CCN(CCCCCC(=O)NCc3ccc(cc3)C#N)CC2)c(c1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C31H32FN5O/c32-28-13-14-30(29(20-28)27-11-9-25(22-34)10-12-27)37-18-16-36(17-19-37)15-3-1-2-4-31(38)35-23-26-7-5-24(21-33)6-8-26/h5-14,20H,1-4,15-19,23H2,(H,35,38)
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| InChIKey |
AYKZPDMOUBNSMP-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