General Information of the Compound
Compound ID
CP0475481
Compound Name
2-oxo-N-(1-((piperidin-4-ylmethyl)sulfonyl)piperidin-4-yl)indoline-5-carboxamide
    Show/Hide
Structure
Formula
C20H28N4O4S
Molecular Weight
420.535
Canonical SMILES
O=C(NC1CCN(CC1)S(=O)(=O)CC1CCNCC1)c1ccc2NC(=O)Cc2c1
    Show/Hide
InChI
InChI=1S/C20H28N4O4S/c25-19-12-16-11-15(1-2-18(16)23-19)20(26)22-17-5-9-24(10-6-17)29(27,28)13-14-3-7-21-8-4-14/h1-2,11,14,17,21H,3-10,12-13H2,(H,22,26)(H,23,25)
    Show/Hide
InChIKey
FOOUZILBDOSFBJ-UHFFFAOYSA-N
Physicochemical Property
logP
0.7048
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
107.61
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 118946393
ChEMBL ID
CHEMBL3798488
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: PT03868, Histone-lysine N-methyltransferase SMYD3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000314 HEK293T/17 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS