General Information of the Compound
Compound ID
CP0406624
Compound Name
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3-phenylpropanamide
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Structure
Formula
C19H27NO
Molecular Weight
285.431
Canonical SMILES
CC(C)=CCC\C(C)=C/CNC(=O)CCc1ccccc1
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InChI
InChI=1S/C19H27NO/c1-16(2)8-7-9-17(3)14-15-20-19(21)13-12-18-10-5-4-6-11-18/h4-6,8,10-11,14H,7,9,12-13,15H2,1-3H3,(H,20,21)/b17-14-
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InChIKey
ZCEWIRZWVZJHNW-VKAVYKQESA-N
Physicochemical Property
logP
4.4281
Rotatable Bonds
8
Heavy Atom Count
21
Polar Areas
29.1
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: 118720726
ChEMBL ID
CHEMBL3355299
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 = 6600 nM
   TI
   LI
   LO
   TS
2
IC50 = 13900 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 = 2200 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
IC50 > 100000 nM
   TI
   LI
   LO
   TS