SB 206553   Click here for help

GtoPdb Ligand ID: 189

Synonyms: SB-206,553 | SB-206553
Compound class: Synthetic organic
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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 50.16
Molecular weight 292.13
XLogP 1.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1
Isomeric SMILES O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1
InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
InChI Key QJQORSLQNXDVGE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
Synonyms Click here for help
SB-206,553 | SB-206553
Database Links Click here for help
BindingDB Ligand 50060417
ChEMBL Ligand CHEMBL297784
GtoPdb PubChem SID 135650985
PubChem CID 5163
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Wikipedia SB-206,553