General Information of the Compound
Compound ID
CP0466550
Compound Name
N3-(3- Ahlorophenyl)- 5-fluoro-7-(2- methylpyridin- 4-yl)furo[2,3- c]pyridine-2,3- diamine
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Structure
Formula
C19H14ClFN4O
Molecular Weight
368.799
Canonical SMILES
Cc1cc(ccn1)-c1nc(F)cc2c(Nc3cccc(Cl)c3)c(N)oc12
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InChI
InChI=1S/C19H14ClFN4O/c1-10-7-11(5-6-23-10)16-18-14(9-15(21)25-16)17(19(22)26-18)24-13-4-2-3-12(20)8-13/h2-9,24H,22H2,1H3
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InChIKey
IRXOYWIUBDIJAH-UHFFFAOYSA-N
Physicochemical Property
logP
5.31652
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
76.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 117704853
ChEMBL ID
CHEMBL4288369
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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