General Information of the Compound
| Compound ID |
CP0398431
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| Compound Name |
4-phenyl-N-[4-[propyl-[4-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]amino]butyl]benzamide
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| Structure |
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| Formula |
C31H42N2OSi
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| Molecular Weight |
486.776
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C
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| InChI |
InChI=1S/C31H42N2OSi/c1-5-23-33(30-19-13-26(14-20-30)21-25-35(2,3)4)24-10-9-22-32-31(34)29-17-15-28(16-18-29)27-11-7-6-8-12-27/h6-8,11-13,15-18,30H,5,9-10,14,19-20,22-24H2,1-4H3,(H,32,34)
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| InChIKey |
YVKJVUJRJJSJAZ-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