General Information of the Compound
Compound ID
CP0578471
Compound Name
4-(2-Amino-3- ((3-chloro-4- fluorophenyl) amino)furo [2,3-c]pyridin- 7-yl)benzamide
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Structure
Formula
C20H14ClFN4O2
Molecular Weight
396.809
Canonical SMILES
NC(=O)c1ccc(cc1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
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InChI
InChI=1S/C20H14ClFN4O2/c21-14-9-12(5-6-15(14)22)26-17-13-7-8-25-16(18(13)28-20(17)24)10-1-3-11(4-2-10)19(23)27/h1-9,26H,24H2,(H2,23,27)
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InChIKey
PZIOOGLTMJLKQE-UHFFFAOYSA-N
Physicochemical Property
logP
4.712
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
107.17
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 86580516
ChEMBL ID
CHEMBL4294302
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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