General Information of the Compound
Compound ID
CP0277372
Compound Name
2-cyclohexyl-3-oxoisoindoline-4-carboxamide
    Show/Hide
Structure
Formula
C15H18N2O2
Molecular Weight
258.321
Canonical SMILES
NC(=O)c1cccc2CN(C3CCCCC3)C(=O)c12
    Show/Hide
InChI
InChI=1S/C15H18N2O2/c16-14(18)12-8-4-5-10-9-17(15(19)13(10)12)11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7,9H2,(H2,16,18)
    Show/Hide
InChIKey
AEDVPHAKDUNUHG-UHFFFAOYSA-N
Physicochemical Property
logP
2.074
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
63.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 5309879
SID: 53835708
ChEMBL ID
CHEMBL597888
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: PT00839, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000337 C-4-I Homo sapiens (Human)  1
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 172 nM