General Information of the Compound
| Compound ID |
CP0190768
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| Compound Name |
3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol
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| Structure |
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| Formula |
C20H25NO
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| Molecular Weight |
295.426
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| Canonical SMILES |
Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
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| InChI |
InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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| InChIKey |
QURAQIGQNZYJHP-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