General Information of the Compound
Compound ID
CP0375342
Compound Name
4-[[1-(1,3-benzodioxol-5-yl)-2-(6-methylpyridin-2-yl)imidazol-4-yl]methylamino]benzamide
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Structure
Formula
C24H21N5O3
Molecular Weight
427.464
Canonical SMILES
Cc1cccc(n1)-c1nc(CNc2ccc(cc2)C(N)=O)cn1-c1ccc2OCOc2c1
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InChI
InChI=1S/C24H21N5O3/c1-15-3-2-4-20(27-15)24-28-18(12-26-17-7-5-16(6-8-17)23(25)30)13-29(24)19-9-10-21-22(11-19)32-14-31-21/h2-11,13,26H,12,14H2,1H3,(H2,25,30)
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InChIKey
WCYSDHAULCHXID-UHFFFAOYSA-N
Physicochemical Property
logP
3.68242
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
104.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 72375326
ChEMBL ID
CHEMBL2435036
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 = 800 nM
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