FD-1   Click here for help

GtoPdb Ligand ID: 1182

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 8
Topological polar surface area 104.94
Molecular weight 509.25
XLogP 7.33
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1nc(OC)c(c(n1)OC)NC(=O)c1ccc(o1)Oc1cc2c(cc1C)C(C)(C)C(CC2(C)C)C
Isomeric SMILES COc1nc(OC)c(c(n1)OC)NC(=O)c1ccc(o1)Oc1cc2c(cc1C)C(C)(C)C(CC2(C)C)C
InChI InChI=1S/C28H35N3O6/c1-15-12-18-17(27(3,4)14-16(2)28(18,5)6)13-20(15)37-21-11-10-19(36-21)23(32)29-22-24(33-7)30-26(35-9)31-25(22)34-8/h10-13,16H,14H2,1-9H3,(H,29,32)
InChI Key JTFNDUMPCFHPFC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
Database Links Click here for help
Specialist databases
GPCRdb Ligand FD-1
Other databases
GtoPdb PubChem SID 135650254
PubChem CID 10279142
Search Google for chemical match using the InChIKey JTFNDUMPCFHPFC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JTFNDUMPCFHPFC
UniChem Compound Search for chemical match using the InChIKey JTFNDUMPCFHPFC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JTFNDUMPCFHPFC-UHFFFAOYSA-N