[11C]MMTP   Click here for help

GtoPdb Ligand ID: 6212

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 87.97
Molecular weight 352.1
XLogP 2.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C
Isomeric SMILES [11CH3]Oc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C
InChI InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3/i3-1
InChI Key COQPVKMATNFNLG-KTXUZGJCSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
13-(dimethylamino)-5-[4-(11C)methoxyphenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
Database Links Click here for help
ChEMBL Ligand CHEMBL1082810
GtoPdb PubChem SID 178102833
PubChem CID 46891047
Search Google for chemical match using the InChIKey COQPVKMATNFNLG-KTXUZGJCSA-N
Search Google for chemicals with the same backbone COQPVKMATNFNLG
UniChem Compound Search for chemical match using the InChIKey COQPVKMATNFNLG-KTXUZGJCSA-N
UniChem Connectivity Search for chemical match using the InChIKey COQPVKMATNFNLG-KTXUZGJCSA-N