General Information of the Compound
Compound ID
CP0121388
Compound Name
5-amino-N-(2,6-dioxopiperidin-3-yl)quinoline-8-carboxamide
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Structure
Formula
C15H14N4O3
Molecular Weight
298.302
Canonical SMILES
Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c2ncccc12
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InChI
InChI=1S/C15H14N4O3/c16-10-4-3-9(13-8(10)2-1-7-17-13)14(21)18-11-5-6-12(20)19-15(11)22/h1-4,7,11H,5-6,16H2,(H,18,21)(H,19,20,22)
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InChIKey
PGZSDBAKIPEVMI-UHFFFAOYSA-N
Physicochemical Property
logP
0.352
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
114.18
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 153384914
ChEMBL ID
CHEMBL4648134
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: PT01462, Bromodomain-containing protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2900 nM
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