General Information of the Compound
| Compound ID |
CP0474566
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| Compound Name |
4-(2-phenylethynyl)-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 |
C35H38N4
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| Molecular Weight |
514.717
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| Canonical SMILES |
CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1
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| InChI |
InChI=1S/C35H38N4/c1-2-25-38(34-23-17-30(18-24-34)16-15-29-11-5-3-6-12-29)26-9-10-27-39-28-35(36-37-39)33-21-19-32(20-22-33)31-13-7-4-8-14-31/h3-8,11-14,17,19-22,28,34H,2,9-10,18,23-27H2,1H3
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| InChIKey |
VZFYQAAXSLVYIL-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