PDGF receptor tyrosine kinase inhibitor II   

GtoPdb Ligand ID: 6018

Synonyms: bis(1H-2-indolyl)methanone deriv. 52 | D-65476
Compound class: Synthetic organic
Comment: This is compound 52 in [3].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 74.95
Molecular weight 346.13
XLogP 4.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2
Isomeric SMILES CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2
InChI InChI=1S/C21H18N2O3/c1-2-5-20(24)26-15-8-9-17-14(10-15)12-19(23-17)21(25)18-11-13-6-3-4-7-16(13)22-18/h3-4,6-12,22-23H,2,5H2,1H3
InChI Key CZDUJGOCEPWCNA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[(1H-indol-2-yl)carbonyl]-1H-indol-5-yl butanoate
Synonyms
bis(1H-2-indolyl)methanone deriv. 52 | D-65476
Comments
This is compound 52 in [3].
Database Links
CAS Registry No. 249762-74-1
ChEMBL Ligand CHEMBL266325
GtoPdb PubChem SID 178102640
PubChem CID 5330548
Search Google for chemical match using the InChIKey CZDUJGOCEPWCNA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CZDUJGOCEPWCNA
Search UniChem for chemical match using the InChIKey CZDUJGOCEPWCNA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CZDUJGOCEPWCNA