General Information of the Compound
Compound ID
CP0489013
Compound Name
2-(3-fluorophenyl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
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Formula
C21H20FN5O
Molecular Weight
377.423
Canonical SMILES
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1cccc(F)c1
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InChI
InChI=1S/C21H20FN5O/c22-15-3-1-2-13(8-15)19-9-17-18(11-25-21(23)20(17)28-19)14-10-26-27(12-14)16-4-6-24-7-5-16/h1-3,8-12,16,24H,4-7H2,(H2,23,25)
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InChIKey
DXBIXZHJSGDDFT-UHFFFAOYSA-N
Physicochemical Property
logP
4.0041
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
81.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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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ChEMBL ID
CHEMBL4782885
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: PT02328, Mitogen-activated protein kinase kinase kinase kinase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM