General Information of the Compound
Compound ID
CP0157558
Compound Name
N-[4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl]-1-methylindazole-3-carboxamide
    Show/Hide
Structure
Formula
C25H22N6O3
Molecular Weight
454.49
Canonical SMILES
COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C)c3ccccc23)cc1C
    Show/Hide
InChI
InChI=1S/C25H22N6O3/c1-15-12-16(27-25(33)23-18-6-4-5-7-21(18)30(2)29-23)8-10-20(15)28-24(32)19-13-26-31-14-17(34-3)9-11-22(19)31/h4-14H,1-3H3,(H,27,33)(H,28,32)
    Show/Hide
InChIKey
LXWXQRLCBZDGSZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.04262
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
102.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 139209093
ChEMBL ID
CHEMBL4469360
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: PT00846, Tyrosine-protein kinase ZAP-70
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
EC50 > 20000 nM
   TI
   LI
   LO
   TS