YM-202074   Click here for help

GtoPdb Ligand ID: 6361

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 78.32
Molecular weight 414.21
XLogP 2.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COCCN(Cc1ccc2c(c1)nc1n2cc(s1)C(=O)N(C1CCCCC1)C)C
Isomeric SMILES COCCN(Cc1ccc2c(c1)nc1n2cc(s1)C(=O)N(C1CCCCC1)C)C
InChI InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-19-18(13-16)23-22-26(19)15-20(29-22)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3
InChI Key YDAIWUAWYILYPH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-cyclohexyl-6-[(2-methoxyethyl-methylamino)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
Database Links Click here for help
CAS Registry No. 299900-83-7 (source: Scifinder)
GtoPdb PubChem SID 178102979
PubChem CID 10409562
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