MK-912   Click here for help

GtoPdb Ligand ID: 12577

Synonyms: L-657,743 | L-657743 | MK912
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 0
Topological polar surface area 36.02
Molecular weight 339.43
XLogP 1.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=C4C=CC=C5)N(C)C1=O
Isomeric SMILES CN1CC[C@]2(CCN3CCC4=C([C@@H]3C2)OC5=CC=CC=C45)N(C1=O)C
InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3/t16-,20+/m0/s1
InChI Key JRDUBBHIPPPSLP-OXJNMPFZSA-N