General Information of the Compound
Compound ID
CP0578479
Compound Name
N3-(3-Chloro-4- fluorophenyl)- 7-(2- methoxy- pyridin-4-yl) furo[2,3-c] pyridine-2,3- diamine
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Structure
Formula
C19H14ClFN4O2
Molecular Weight
384.798
Canonical SMILES
COc1cc(ccn1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
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InChI
InChI=1S/C19H14ClFN4O2/c1-26-15-8-10(4-6-23-15)16-18-12(5-7-24-16)17(19(22)27-18)25-11-2-3-14(21)13(20)9-11/h2-9,25H,22H2,1H3
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InChIKey
ZIIKXCLIFGKNRN-UHFFFAOYSA-N
Physicochemical Property
logP
5.0167
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
86.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 118894415
ChEMBL ID
CHEMBL4284125
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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