General Information of the Compound
Compound ID
CP0434452
Compound Name
ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate
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Structure
Formula
C19H15N3O3
Molecular Weight
333.347
Canonical SMILES
CCOC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
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InChI
InChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+
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InChIKey
BTJOSZCOBPWUOW-RELWKKBWSA-N
Physicochemical Property
logP
2.9423
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
73.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 155561957
ChEMBL ID
CHEMBL4582239
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 = 76 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 = 22 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 = 735 nM
   TI
   LI
   LO
   TS