General Information of the Compound
Compound ID
CP0149974
Compound Name
N-[3-[[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
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Structure
Formula
C19H27N7O
Molecular Weight
369.473
Canonical SMILES
Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
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InChI
InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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InChIKey
YOFJPZPGHXWQJB-UHFFFAOYSA-N
Physicochemical Property
logP
2.5494
Rotatable Bonds
9
Heavy Atom Count
27
Polar Areas
96.76
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
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: 44465026
SID: 85744477
ChEMBL ID
CHEMBL2207208
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: PT06227, Serine/threonine-protein kinase TBK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 = 170 nM
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