[11C]MMTP   

GtoPdb Ligand ID: 6212

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
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
Compound class Synthetic organic
IUPAC Name
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
ChEMBL Ligand CHEMBL1082810
GtoPdb PubChem SID 178102833
PubChem CID 46891047
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