General Information of the Compound
Compound ID
CP0519523
Compound Name
2-amino-N-(4-phenylbutyl)benzimidazole-1-carboxamide
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Structure
Formula
C18H20N4O
Molecular Weight
308.385
Canonical SMILES
Nc1nc2ccccc2n1C(=O)NCCCCc1ccccc1
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InChI
InChI=1S/C18H20N4O/c19-17-21-15-11-4-5-12-16(15)22(17)18(23)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H2,19,21)(H,20,23)
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InChIKey
NPDSULPFGOBDFN-UHFFFAOYSA-N
Physicochemical Property
logP
3.1991
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
72.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 137653239
ChEMBL ID
CHEMBL4093029
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 = 0.9 nM
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