General Information of the Compound
Compound ID
CP0472234
Compound Name
4-(2-Amino-3- ((3-chloro-4- fluorophenyl) amino)furo[2,3- c]pyridin-7-yl)- N-propyl- picolinamide
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Structure
Formula
C22H19ClFN5O2
Molecular Weight
439.878
Canonical SMILES
CCCNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
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InChI
InChI=1S/C22H19ClFN5O2/c1-2-7-28-22(30)17-10-12(5-8-26-17)18-20-14(6-9-27-18)19(21(25)31-20)29-13-3-4-16(24)15(23)11-13/h3-6,8-11,29H,2,7,25H2,1H3,(H,28,30)
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InChIKey
LBUQFEGLLFOVCL-UHFFFAOYSA-N
Physicochemical Property
logP
5.1479
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
106.07
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 86580678
ChEMBL ID
CHEMBL4278982
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: PT02896, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 2000 nM
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