General Information of the Compound
| Compound ID |
CP0400130
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| Compound Name |
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3-(2-phenylethynyl)benzamide
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| Structure |
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| Formula |
C31H35N3O2
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| Molecular Weight |
481.64
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCNC(=O)c2cccc(c2)C#Cc2ccccc2)CC1
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| InChI |
InChI=1S/C31H35N3O2/c1-36-30-16-7-6-15-29(30)34-23-21-33(22-24-34)20-9-3-8-19-32-31(35)28-14-10-13-27(25-28)18-17-26-11-4-2-5-12-26/h2,4-7,10-16,25H,3,8-9,19-24H2,1H3,(H,32,35)
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| InChIKey |
UBFCDXVLKFOOGL-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor