General Information of the Compound
Compound ID
CP0379584
Compound Name
[1-(1,3-benzodioxol-5-yl)-2-(6-methylpyridin-2-yl)imidazol-4-yl]methanol
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Structure
Formula
C17H15N3O3
Molecular Weight
309.325
Canonical SMILES
Cc1cccc(n1)-c1nc(CO)cn1-c1ccc2OCOc2c1
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InChI
InChI=1S/C17H15N3O3/c1-11-3-2-4-14(18-11)17-19-12(9-21)8-20(17)13-5-6-15-16(7-13)23-10-22-15/h2-8,21H,9-10H2,1H3
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InChIKey
DSVUMPQOOYJBBX-UHFFFAOYSA-N
Physicochemical Property
logP
2.46372
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
69.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 72375217
ChEMBL ID
CHEMBL2435044
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000775 CHO/IR Cricetulus griseus (Chinese hamster)  1
1
IC50 = 990 nM
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