General Information of the Compound
Compound ID
CP0051257
Compound Name
(1R,3R)-3-[4-(2-methylheptan-2-yl)phenyl]cyclohexan-1-ol
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Synonyms
CHEMBL261495
JWH-406
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Structure
Formula
C20H32O
Molecular Weight
288.475
Canonical SMILES
CCCCCC(C)(C)c1ccc(cc1)[C@@H]1CCC[C@@H](O)C1
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InChI
InChI=1S/C20H32O/c1-4-5-6-14-20(2,3)18-12-10-16(11-13-18)17-8-7-9-19(21)15-17/h10-13,17,19,21H,4-9,14-15H2,1-3H3/t17-,19-/m1/s1
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InChIKey
RGRMJFXCHLLHAS-IEBWSBKVSA-N
Physicochemical Property
logP
5.563
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
21

"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).

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PubChem ID
CID: 44452581
ChEMBL ID
CHEMBL261495
Clinical Information about the Compound
Drug 1 ( JWH-406 )
Drug Name JWH-406
Target(s)
Cannabinoid receptor 2 (CB2)
Inhibitor
Cannabinoid receptor 1 (CB1)
Inhibitor