General Information of the Compound
Compound ID
CP0471750
Compound Name
2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetic acid
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Structure
Formula
C17H11N3O3
Molecular Weight
305.293
Canonical SMILES
OC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
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InChI
InChI=1S/C17H11N3O3/c21-14(22)9-23-20-16-11-6-2-1-5-10(11)15-17(16)19-13-8-4-3-7-12(13)18-15/h1-8H,9H2,(H,21,22)/b20-16+
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InChIKey
FYPYRKHDUUOAMZ-CAPFRKAQSA-N
Physicochemical Property
logP
2.4638
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
84.67
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 155551144
ChEMBL ID
CHEMBL4541080
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: PT00998, Mitogen-activated protein kinase 10
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 28500 nM
   TI
   LI
   LO
   TS
Protein ID: PT00863, Mitogen-activated protein kinase 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 23500 nM
   TI
   LI
   LO
   TS
Protein ID: PT00872, Mitogen-activated protein kinase 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 16500 nM
   TI
   LI
   LO
   TS