General Information of the Compound
| Compound ID |
CP0389511
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| Compound Name |
N-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]-N-propyl-4-(2-trimethylsilylethynyl)cyclohex-3-en-1-amine
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| Structure |
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| Formula |
C32H42N4Si
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| Molecular Weight |
510.802
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| Canonical SMILES |
CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C
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| InChI |
InChI=1S/C32H42N4Si/c1-5-22-35(31-19-13-27(14-20-31)21-25-37(2,3)4)23-9-10-24-36-26-32(33-34-36)30-17-15-29(16-18-30)28-11-7-6-8-12-28/h6-8,11-13,15-18,26,31H,5,9-10,14,19-20,22-24H2,1-4H3
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| InChIKey |
ULYGZZPDPDMBCC-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