Ro 63-0563   Click here for help

GtoPdb Ligand ID: 275

Synonyms: Ro-63-0563 | Ro-630563 | Ro630563
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 117.52
Molecular weight 307.11
XLogP 1.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNc1cc(cc(n1)NC)NS(=O)(=O)c1ccc(cc1)N
Isomeric SMILES CNc1cc(cc(n1)NC)NS(=O)(=O)c1ccc(cc1)N
InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
InChI Key PTFNKZLSFWJYFJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-amino-N-[2,6-bis(methylamino)pyridin-4-yl]benzenesulfonamide
Synonyms Click here for help
Ro-63-0563 | Ro-630563 | Ro630563
Database Links Click here for help
BindingDB Ligand 50090524
ChEMBL Ligand CHEMBL46071
GtoPdb PubChem SID 135650921
PubChem CID 5312144
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UniChem Compound Search for chemical match using the InChIKey PTFNKZLSFWJYFJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PTFNKZLSFWJYFJ-UHFFFAOYSA-N