General Information of the Compound
Compound ID
CP0474150
Compound Name
N-[6-[3-[(2-fluorophenyl)methylsulfonylamino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
    Show/Hide
Structure
Formula
C24H21FN4O3S
Molecular Weight
464.522
Canonical SMILES
Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
    Show/Hide
InChI
InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)
    Show/Hide
InChIKey
JNYMSOJGKCXZLV-UHFFFAOYSA-N
Physicochemical Property
logP
4.6594
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
103.95
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 155536206
ChEMBL ID
CHEMBL4473140
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: PT02182, AP2-associated protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 528 nM
   TI
   LI
   LO
   TS
Protein ID: PT01412, BMP-2-inducible protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1620 nM
   TI
   LI
   LO
   TS
Protein ID: PT01920, Cyclin-G-associated kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01970, Serine/threonine-protein kinase 16
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS