General Information of the Compound
Compound ID
CP0509455
Compound Name
N-[(4Z,7Z,10Z,12E)-nonadeca-4,7,10,12-tetraenyl]hydroxylamine
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Structure
Formula
C19H33NO
Molecular Weight
291.479
Canonical SMILES
CCCCCC\C=C\C=C/C\C=C/C\C=C/CCCNO
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InChI
InChI=1S/C19H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h7-10,12-13,15-16,20-21H,2-6,11,14,17-19H2,1H3/b8-7+,10-9-,13-12-,16-15-
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InChIKey
OMAGLCNMMVOWAR-ZOYZBVPGSA-N
Physicochemical Property
logP
5.7208
Rotatable Bonds
14
Heavy Atom Count
21
Polar Areas
32.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 44369543
ChEMBL ID
CHEMBL433690
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 2200 nM
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