General Information of the Compound
Compound ID
CP0578477
Compound Name
4-(2-Amino-3- ((3,4- difluorophenyl) amino)furo[2,3- c]pyridin-7-yl)- N-methyl- picolinamide
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Structure
Formula
C20H15F2N5O2
Molecular Weight
395.369
Canonical SMILES
CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(F)c3)c(N)oc12
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InChI
InChI=1S/C20H15F2N5O2/c1-24-20(28)15-8-10(4-6-25-15)16-18-12(5-7-26-16)17(19(23)29-18)27-11-2-3-13(21)14(22)9-11/h2-9,27H,23H2,1H3,(H,24,28)
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InChIKey
TYQUDJYPXIHFPT-UHFFFAOYSA-N
Physicochemical Property
logP
3.8534
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
106.07
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 117698489
ChEMBL ID
CHEMBL4282402
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 = 500 nM
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