General Information of the Compound
Compound ID
CP0265893
Compound Name
2-(4-(7-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl)phenyl)-1Hbenzo[d]imidazole-4-carboxamide
    Show/Hide
Structure
Formula
C22H14F3N5O
Molecular Weight
421.382
Canonical SMILES
NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cn2ccc(cc2n1)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C22H14F3N5O/c23-22(24,25)14-8-9-30-11-17(27-18(30)10-14)12-4-6-13(7-5-12)21-28-16-3-1-2-15(20(26)31)19(16)29-21/h1-11H,(H2,26,31)(H,28,29)
    Show/Hide
InChIKey
CBUDZRHMZVXEGY-UHFFFAOYSA-N
Physicochemical Property
logP
4.6623
Rotatable Bonds
3
Heavy Atom Count
31
Polar Areas
89.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44541771
SID: 87223374
ChEMBL ID
CHEMBL569635
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: PT00839, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000337 C-4-I Homo sapiens (Human)  1
1
EC50 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.8 nM