General Information of the Compound
Compound ID
CP0386418
Compound Name
4-Chloro-N-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]benzamide
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Structure
Formula
C17H24ClNO
Molecular Weight
293.838
Canonical SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(Cl)cc1
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InChI
InChI=1S/C17H24ClNO/c1-11(2)15-9-4-12(3)10-16(15)19-17(20)13-5-7-14(18)8-6-13/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,19,20)/t12-,15+,16-/m1/s1
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InChIKey
LQMWNKHHGRDBKL-UHOFOFEASA-N
Physicochemical Property
logP
4.5306
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 46887730
ChEMBL ID
CHEMBL1098429
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 40200 nM
   TI
   LI
   LO
   TS
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 700 nM
   TI
   LI
   LO
   TS
2
IC50 = 1600 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 4100 nM
   TI
   LI
   LO
   TS