BIMU 8   

GtoPdb Ligand ID: 234

Synonyms: BIMU-8 | BIMU8
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 342.21
XLogP 2.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1C2CCC1CC(C2)NC(=O)n1c(=O)n(c2c1cccc2)C(C)C
Isomeric SMILES CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)n1c(=O)n(c2c1cccc2)C(C)C
InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+
InChI Key AFOFVIBWSLOHFR-GOOCMWNKSA-N
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Molecular structure representations generated using Open Babel