General Information of the Compound
Compound ID
CP0148179
Compound Name
Benzoimidazole-1-Carboxylic Acid Hexylamide
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Structure
Formula
C14H19N3O
Molecular Weight
245.326
Canonical SMILES
CCCCCCNC(=O)n1cnc2ccccc12
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InChI
InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-14(18)17-11-16-12-8-5-6-9-13(12)17/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,18)
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InChIKey
NBEXETZHMIKKJK-UHFFFAOYSA-N
Physicochemical Property
logP
3.1743
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 44306090
ChEMBL ID
CHEMBL66205
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: PT04305, Acid ceramidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 6.6 nM
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