General Information of the Compound
Compound ID
CP0543519
Compound Name
N-tetradecylprop-2-enamide
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Structure
Formula
C17H33NO
Molecular Weight
267.457
Canonical SMILES
CCCCCCCCCCCCCCNC(=O)C=C
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InChI
InChI=1S/C17H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)4-2/h4H,2-3,5-16H2,1H3,(H,18,19)
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InChIKey
DBLNSVZHOZOZQX-UHFFFAOYSA-N
CAS
40952-11-2
Physicochemical Property
logP
4.9897
Rotatable Bonds
14
Heavy Atom Count
19
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 3016236
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: PT07567, Palmitoyltransferase ZDHHC2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 59900 nM
   TI
   LI
   LO
   TS
Protein ID: PT07504, Palmitoyltransferase ZDHHC20
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 21400 nM
   TI
   LI
   LO
   TS