General Information of the Compound
Compound ID
CP0472228
Compound Name
4-(2-Amino-3- ((2- chlorophenyl) amino)furo[2,3- c]pyridin-7-yl)- N-methyl- picolinamide
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Structure
Formula
C20H16ClN5O2
Molecular Weight
393.834
Canonical SMILES
CNC(=O)c1cc(ccn1)-c1nccc2c(Nc3ccccc3Cl)c(N)oc12
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InChI
InChI=1S/C20H16ClN5O2/c1-23-20(27)15-10-11(6-8-24-15)16-18-12(7-9-25-16)17(19(22)28-18)26-14-5-3-2-4-13(14)21/h2-10,26H,22H2,1H3,(H,23,27)
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InChIKey
BFEGLKAENRYWFL-UHFFFAOYSA-N
Physicochemical Property
logP
4.2286
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
106.07
Hydrogen Bond Donor Count
3
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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PubChem ID
CID: 117704874
ChEMBL ID
CHEMBL4291240
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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