General Information of the Compound
Compound ID
CP0390015
Compound Name
N3-(3-Chloro-4- fluorophenyl)- 7-(2-chloro-5- fluorophenyl) furo[2,3- c]pyridine-2,3- diamine
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Structure
Formula
C19H11Cl2F2N3O
Molecular Weight
406.219
Canonical SMILES
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cc(F)ccc1Cl
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InChI
InChI=1S/C19H11Cl2F2N3O/c20-13-3-1-9(22)7-12(13)16-18-11(5-6-25-16)17(19(24)27-18)26-10-2-4-15(23)14(21)8-10/h1-8,26H,24H2
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InChIKey
GTKJBDIZCDDRSU-UHFFFAOYSA-N
Physicochemical Property
logP
6.4056
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
64.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 117704903
ChEMBL ID
CHEMBL4281561
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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