General Information of the Compound
| Compound ID |
CP0931324
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| Compound Name |
trans-4-(dimethylamino)-1-phenethyl-4-phenylcyclohexanol hydrochloride
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| Formula |
C22H30ClNO
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| Molecular Weight |
359.941
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| Canonical SMILES |
CN(C)[C@]1(c2ccccc2)CC[C@@](O)(CCc2ccccc2)CC1.Cl
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| InChI |
InChI=1S/C22H29NO.ClH/c1-23(2)22(20-11-7-4-8-12-20)17-15-21(24,16-18-22)14-13-19-9-5-3-6-10-19;/h3-12,24H,13-18H2,1-2H3;1H/t21-,22+;
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| InChIKey |
SMYCVBFCVBQSTI-WHXBIKBMSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor