General Information of the Compound
| Compound ID |
CP0452640
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| Compound Name |
N-[(4-cyanophenyl)methyl]-6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C27H36N4O
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| Molecular Weight |
432.612
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| Canonical SMILES |
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C27H36N4O/c1-22(2)25-8-5-6-9-26(25)31-18-16-30(17-19-31)15-7-3-4-10-27(32)29-21-24-13-11-23(20-28)12-14-24/h5-6,8-9,11-14,22H,3-4,7,10,15-19,21H2,1-2H3,(H,29,32)
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| InChIKey |
IJMJZSNLRMYGOM-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: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor