General Information of the Compound
Compound ID
CP0561880
Compound Name
2-oxo-N-(piperidin-4-yl)indoline-5-carboxamide
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Structure
Formula
C14H17N3O2
Molecular Weight
259.309
Canonical SMILES
O=C(NC1CCNCC1)c1ccc2NC(=O)Cc2c1
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InChI
InChI=1S/C14H17N3O2/c18-13-8-10-7-9(1-2-12(10)17-13)14(19)16-11-3-5-15-6-4-11/h1-2,7,11,15H,3-6,8H2,(H,16,19)(H,17,18)
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InChIKey
SWMKOYKJOHHEQD-UHFFFAOYSA-N
Physicochemical Property
logP
0.663
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
70.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 83551529
ChEMBL ID
CHEMBL3798717
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
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