General Information of the Compound
Compound ID
CP0194896
Compound Name
4-(4-(H-imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-N-ethylpiperidine-1-carboxamide
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Structure
Formula
C19H23N7O
Molecular Weight
365.441
Canonical SMILES
CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1cnc2ccccn12
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InChI
InChI=1S/C19H23N7O/c1-2-20-19(27)25-11-7-14(8-12-25)23-18-21-9-6-15(24-18)16-13-22-17-5-3-4-10-26(16)17/h3-6,9-10,13-14H,2,7-8,11-12H2,1H3,(H,20,27)(H,21,23,24)
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InChIKey
WWHNHBJMWMVKHQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.3971
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
87.45
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 44440217
ChEMBL ID
CHEMBL246543
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: PT04205, Transcription factor Jun
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 19331 nM
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