compound 13 [PMID: 15925511]   Click here for help

GtoPdb Ligand ID: 8188

Compound class: Synthetic organic
Comment: Compound 13 is a derivative assessed in a medicinal chemistry study to identify novel selective inhibitors of SRSF protein kinase 1 (SRPK1) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 119.56
Molecular weight 388.03
XLogP 4.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccc2c(c1)cc1c(c2)nc(c(n1)c1cccs1)c1cccs1
Isomeric SMILES OC(=O)c1ccc2c(c1)cc1c(c2)nc(c(n1)c1cccs1)c1cccs1
InChI InChI=1S/C21H12N2O2S2/c24-21(25)13-6-5-12-10-15-16(11-14(12)9-13)23-20(18-4-2-8-27-18)19(22-15)17-3-1-7-26-17/h1-11H,(H,24,25)
InChI Key GXGUVSXXUOACEX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,3-di(thiophen-2-yl)benzo[g]quinoxaline-8-carboxylic acid
Database Links Click here for help
BindingDB Ligand 50168247
ChEMBL Ligand CHEMBL426445
GtoPdb PubChem SID 249565868
PubChem CID 11668217
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