General Information of the Compound
Compound ID
CP0379933
Compound Name
1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea
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Structure
Formula
C17H30N2O
Molecular Weight
278.44
Canonical SMILES
CC(C)=CCC\C(C)=C/CNC(=O)NC1CCCCC1
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InChI
InChI=1S/C17H30N2O/c1-14(2)8-7-9-15(3)12-13-18-17(20)19-16-10-5-4-6-11-16/h8,12,16H,4-7,9-11,13H2,1-3H3,(H2,18,19,20)/b15-12-
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InChIKey
BLANVSRTMZZAIG-QINSGFPZSA-N
Physicochemical Property
logP
4.311
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
41.13
Hydrogen Bond Donor Count
2
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: 118720728
ChEMBL ID
CHEMBL3355301
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)  2
1
EC50 = 2650 nM
   TI
   LI
   LO
   TS
2
IC50 = 4400 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)  1
1
IC50 = 30000 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)  2
1
EC50 = 8900 nM
   TI
   LI
   LO
   TS
2
IC50 = 15700 nM
   TI
   LI
   LO
   TS