General Information of the Compound
Compound ID
CP0531097
Compound Name
US9296728, 10
    Show/Hide
Structure
Formula
C24H20N2O2
Molecular Weight
368.436
Canonical SMILES
OC(=O)C(=C\c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)\C#N
    Show/Hide
InChI
InChI=1S/C24H20N2O2/c25-16-22(24(27)28)15-19-11-13-23(14-12-19)26(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-15H,17-18H2,(H,27,28)/b22-15+
    Show/Hide
InChIKey
HVZSJLIGRHWSJP-PXLXIMEGSA-N
Physicochemical Property
logP
4.88498
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
64.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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
PubChem ID
CID: 71667418
ChEMBL ID
CHEMBL3978307
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: PT06330, Monocarboxylate transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000478 RBE4 Rattus norvegicus (Rat)  1
1
IC50 = 43 nM
   TI
   LI
   LO
   TS