[3H]YM298198   Click here for help

GtoPdb Ligand ID: 5392

Synonyms: [3H]-YM298198
 Ligand is labelled  Ligand is radioactive
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 3
Topological polar surface area 91.87
Molecular weight 342.15
XLogP 2.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(C(=O)c1sc2n(c1C)c1c(n2)ccc(c1)N)C1CCCCC1
Isomeric SMILES CN(C(=O)c1sc2n(c1C)c1c(n2)ccc(c1)N)C1CCCCC1
InChI InChI=1S/C18H22N4OS/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18/h8-10,13H,3-7,19H2,1-2H3
InChI Key KCBXOMYXOBVLED-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
11-amino-N-cyclohexyl-N,3-dimethyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaene-4-carboxamide
Synonyms Click here for help
[3H]-YM298198
Database Links Click here for help
ChEMBL Ligand CHEMBL1517556
GtoPdb PubChem SID 178102050
PubChem CID 9819432
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