COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552866
Chemical Name: (5aR,8R,9S,10R,11S,11aS,13S)-9-ethyl-8,13-dihydroxy-7-((5-(methoxycarbonyl)furan-2-yl)methyl)-5-methyl-5,5a,6,7,8,9,10,11,11a,12-decahydro-6,10:11,12a-dimethanoindolo[3,2-b]quinolizin-7-iumchloride
Smiles: COC(=O)c1ccc(o1)C[N+]12[C@H](O)C(CC)[C@@H]3C4[C@H]1CC1(C(C2C3)N(C)c2c1cccc2)[C@H]4O

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Saltdata: Cl-
Molecular Weight: 465.57
Empirical Formula: C27H33N2O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -3.885
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 83
Number of rings: 8

     

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