General Information of the Compound
Compound ID
CP0375358
Compound Name
2-amino-1-pentylbenzimidazol-4-ol
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Structure
Formula
C12H17N3O
Molecular Weight
219.288
Canonical SMILES
CCCCCn1c(N)nc2c(O)cccc12
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InChI
InChI=1S/C12H17N3O/c1-2-3-4-8-15-9-6-5-7-10(16)11(9)14-12(15)13/h5-7,16H,2-4,8H2,1H3,(H2,13,14)
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InChIKey
GTGLJAUATCVCSW-UHFFFAOYSA-N
Physicochemical Property
logP
2.5143
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
64.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 117890334
ChEMBL ID
CHEMBL3326944
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: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 5010 nM
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