YM298198   Click here for help

GtoPdb Ligand ID: 1389

Synonyms: YM-298198
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
7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
Synonyms Click here for help
YM-298198
Database Links Click here for help
CAS Registry No. 748758-45-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1517556
GtoPdb PubChem SID 135651343
PubChem CID 9819432
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