General Information of the Compound
Compound ID
CP0201623
Compound Name
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3H-imidazo[4,5-c]pyridin-6-amine
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Structure
Formula
C16H19N7O
Molecular Weight
325.376
Canonical SMILES
COC1CCN(CC1)c1nccc(Nc2cc3[nH]cnc3cn2)n1
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InChI
InChI=1S/C16H19N7O/c1-24-11-3-6-23(7-4-11)16-17-5-2-14(22-16)21-15-8-12-13(9-18-15)20-10-19-12/h2,5,8-11H,3-4,6-7H2,1H3,(H,19,20)(H,17,18,21,22)
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InChIKey
VOVOJNOXHDWRNB-UHFFFAOYSA-N
Physicochemical Property
logP
2.1067
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
91.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
24

"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: 90183548
ChEMBL ID
CHEMBL3735952
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000157 NCI-H1975 Homo sapiens (Human)  1
1
IC50 = 880 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1200 nM