General Information of the Compound
| Compound ID |
CP0381244
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| Compound Name |
3-[2-[hexyl(2-phenylethyl)amino]ethyl]phenol
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| Structure |
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| Formula |
C22H31NO
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| Molecular Weight |
325.496
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| Canonical SMILES |
CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
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| InChI |
InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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| InChIKey |
XNXKEYCDXWQUQU-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor