General Information of the Compound
| Compound ID |
CP0400123
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(2-phenylethynyl)benzamide
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| Structure |
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| Formula |
C30H33N3O2
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| Molecular Weight |
467.613
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)C#Cc2ccccc2)CC1
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| InChI |
InChI=1S/C30H33N3O2/c1-35-29-12-6-5-11-28(29)33-23-21-32(22-24-33)20-8-7-19-31-30(34)27-17-15-26(16-18-27)14-13-25-9-3-2-4-10-25/h2-6,9-12,15-18H,7-8,19-24H2,1H3,(H,31,34)
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| InChIKey |
GJRMDYLDWDRDIG-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