BIMU 1   

GtoPdb Ligand ID: 233

Synonyms: BIMU-1 | BIMU1
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.27
Molecular weight 328.19
XLogP 1.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCn1c(=O)n(c2c1cccc2)C(=O)NC1CC2CCC(C1)N2C
Isomeric SMILES CCn1c(=O)n(c2c1cccc2)C(=O)NC1CC2CC[C@@H](C1)N2C
InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)/t12?,13-,14?/m0/s1
InChI Key MZRKHUUDDHJVHS-MOKVOYLWSA-N
Classification
Compound class Synthetic organic
IUPAC Name
33-ethyl-N-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxobenzimidazole-1-carboxamide
Synonyms
BIMU-1 | BIMU1
Database Links
GtoPdb PubChem SID 135649997
PubChem CID 9929033
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