SNC80   Click here for help

GtoPdb Ligand ID: 1611

Synonyms: NSC707484
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 0
Rotatable bonds 10
Topological polar surface area 36.02
Molecular weight 449.3
XLogP 4.83
No. Lipinski's rules broken 0
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Canonical SMILES C=CCN1CC(C)N(CC1C)C(c1cccc(c1)OC)c1ccc(cc1)C(=O)N(CC)CC
Isomeric SMILES C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)OC)c1ccc(cc1)C(=O)N(CC)CC
InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/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 SNC80
Other databases
BindingDB Ligand 50039029
CAS Registry No. 156727-74-1 (source: Scifinder)
ChEMBL Ligand CHEMBL13470
GtoPdb PubChem SID 135651062
PubChem CID 123924
Search Google for chemical match using the InChIKey KQWVAUSXZDRQPZ-UMTXDNHDSA-N
Search Google for chemicals with the same backbone KQWVAUSXZDRQPZ
UniChem Compound Search for chemical match using the InChIKey KQWVAUSXZDRQPZ-UMTXDNHDSA-N
UniChem Connectivity Search for chemical match using the InChIKey KQWVAUSXZDRQPZ-UMTXDNHDSA-N
Wikipedia SNC-80

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SNC 80 (links to external site)
Cat. No. 0764