SU6656   

GtoPdb Ligand ID: 6044

Synonyms: SU-6656
Compound class: Synthetic organic
Comment: SU6656 is an inhbitor of Src family kinases.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 90.65
Molecular weight 371.13
XLogP 2.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1Nc2c(C1=Cc1cc3c([nH]1)CCCC3)cc(cc2)S(=O)(=O)N(C)C
Isomeric SMILES O=C1Nc2c(/C/1=C/c1cc3c([nH]1)CCCC3)cc(cc2)S(=O)(=O)N(C)C
InChI InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
InChI Key LOGJQOUIVKBFGH-YBEGLDIGSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3Z)-N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-sulfonamide
Synonyms
SU-6656
Database Links
CAS Registry No. 330161-87-0
ChEMBL Ligand CHEMBL605003
DrugBank Ligand DB08039
GtoPdb PubChem SID 178102666
PubChem CID 5312137
RCSB PDB Ligand K88
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Search Google for chemicals with the same backbone LOGJQOUIVKBFGH
Search UniChem for chemical match using the InChIKey LOGJQOUIVKBFGH-YBEGLDIGSA-N
Search UniChem for chemicals with the same backbone LOGJQOUIVKBFGH
Wikipedia SU6656

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Tocris
SU 6656
Cat. No. 6475