General Information of the Compound
Compound ID
CP0035439
Compound Name
6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopropylamide 4'-cyclopropylmethyl-amide
    Show/Hide
Structure
Formula
C22H24N2O2
Molecular Weight
348.446
Canonical SMILES
Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
    Show/Hide
InChI
InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
    Show/Hide
InChIKey
BOPSUAHGQHFKGG-UHFFFAOYSA-N
Physicochemical Property
logP
3.69402
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 24856363
SID: 56260871
ChEMBL ID
CHEMBL478649
DrugBank ID
DB07835
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: PT03101, Heat shock protein beta-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000293 HLF Homo sapiens (Human)  1
1
IC50 = 53 nM
   TI
   LI
   LO
   TS
Protein ID: PT00861, Mitogen-activated protein kinase 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000293 HLF Homo sapiens (Human)  1
1
IC50 = 18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 75 nM
2 IC50 = 199.53 nM
3 IC50 = 1584.89 nM
4 Ki = 9 nM
5 Ki = 10 nM
6 Ki = 12 nM
7 Ki = 12.59 nM