General Information of the Compound
| Compound ID |
CP0389512
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| Compound Name |
4-ethynyl-N-[4-[4-(4-phenylphenyl)triazol-1-yl]butyl]-N-propylcyclohex-3-en-1-amine
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| Structure |
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| Formula |
C29H34N4
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| Molecular Weight |
438.619
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| Canonical SMILES |
CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C
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| InChI |
InChI=1S/C29H34N4/c1-3-20-32(28-18-12-24(4-2)13-19-28)21-8-9-22-33-23-29(30-31-33)27-16-14-26(15-17-27)25-10-6-5-7-11-25/h2,5-7,10-12,14-17,23,28H,3,8-9,13,18-22H2,1H3
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| InChIKey |
GOPCNWYYZCPBLJ-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
Cell-based Assay
Protein ID: PT01161, D(4) dopamine receptor