General Information of the Compound
Compound ID
CP0429265
Compound Name
1-(4-fluorophenyl)-4-(4-methylpyridin-3-yl)indazole
    Show/Hide
Structure
Formula
C19H14FN3
Molecular Weight
303.34
Canonical SMILES
Cc1ccncc1-c1cccc2n(ncc12)-c1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C19H14FN3/c1-13-9-10-21-11-17(13)16-3-2-4-19-18(16)12-22-23(19)15-7-5-14(20)6-8-15/h2-12H,1H3
    Show/Hide
InChIKey
DXPYVBQVJKXXIT-UHFFFAOYSA-N
Physicochemical Property
logP
4.53502
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 127031978
ChEMBL ID
CHEMBL3781112
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: PT01584, Steroid 17-alpha-hydroxylase/17,20 lyase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5 nM
   TI
   LI
   LO
   TS