General Information of the Compound
| Compound ID |
CP0474504
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| Compound Name |
4-phenyl-N-[4-[[4-(2-phenylethynyl)cyclohex-3-en-1-yl]-propylamino]butyl]benzamide
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| Structure |
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| Formula |
C34H38N2O
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| Molecular Weight |
490.691
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1
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| InChI |
InChI=1S/C34H38N2O/c1-2-26-36(33-23-17-29(18-24-33)16-15-28-11-5-3-6-12-28)27-10-9-25-35-34(37)32-21-19-31(20-22-32)30-13-7-4-8-14-30/h3-8,11-14,17,19-22,33H,2,9-10,18,23-27H2,1H3,(H,35,37)
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| InChIKey |
YDCWHOYYMICCQD-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