General Information of the Compound
Compound ID
CP0494550
Compound Name
N-[(Z)-heptadec-8-enyl]-3-hydroxypropanamide
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Structure
Formula
C20H39NO2
Molecular Weight
325.537
Canonical SMILES
CCCCCCCC\C=C/CCCCCCCNC(=O)CCO
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InChI
InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-20(23)17-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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InChIKey
MEHNYYNESVPJPE-KTKRTIGZSA-N
Physicochemical Property
logP
5.1324
Rotatable Bonds
17
Heavy Atom Count
23
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 44588402
ChEMBL ID
CHEMBL447931
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: PT06598, Pre-mRNA-processing factor 19
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
EC50 = 121 nM
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