General Information of the Compound
Compound ID
CP0885649
Compound Name
SID144194192
    Show/Hide
Formula
C24H22F2N2
Molecular Weight
376.45
Canonical SMILES
Fc1cccc(CN2C[C@@H]3N[C@H](C2)[C@@H]3c2ccc(-c3cccc(F)c3)cc2)c1
    Show/Hide
InChI
InChI=1S/C24H22F2N2/c25-20-5-1-3-16(11-20)13-28-14-22-24(23(15-28)27-22)18-9-7-17(8-10-18)19-4-2-6-21(26)12-19/h1-12,22-24,27H,13-15H2/t22-,23+,24+
    Show/Hide
InChIKey
ODPMAAAYGJPTFP-UBRQYEGLSA-N
Physicochemical Property
logP
4.5716
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
15.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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
ChEMBL ID
CHEMBL2355076
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: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 23430 nM
   TI
   LI
   LO
   TS