GSK 256471   Click here for help

GtoPdb Ligand ID: 5774

Synonyms: GSK-256471
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 87.75
Molecular weight 499.19
XLogP 5.46
No. Lipinski's rules broken 1
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Canonical SMILES O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)NC(c1ccccc1)C1CC1
Isomeric SMILES O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1
InChI InChI=1S/C29H29N3O3S/c1-32(36(2,34)35)19-24-26(29(33)31-27(22-17-18-22)20-11-5-3-6-12-20)23-15-9-10-16-25(23)30-28(24)21-13-7-4-8-14-21/h3-16,22,27H,17-19H2,1-2H3,(H,31,33)/t27-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand GSK 256471
Other databases
CAS Registry No. 1133706-08-7
ChEMBL Ligand CHEMBL480249
GtoPdb PubChem SID 178102399
PubChem CID 44570980
Search Google for chemical match using the InChIKey YTXUTYGRBYCUIL-HHHXNRCGSA-N
Search Google for chemicals with the same backbone YTXUTYGRBYCUIL
UniChem Compound Search for chemical match using the InChIKey YTXUTYGRBYCUIL-HHHXNRCGSA-N
UniChem Connectivity Search for chemical match using the InChIKey YTXUTYGRBYCUIL-HHHXNRCGSA-N