COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553397
Chemical Name: (5aR,8R,9S,10S,11S,11aS,12aR)-9-ethyl-7-heptyl-8,13-dihydroxy-5-methyl-5,5a,6,7,8,9,10,11,11a,12-decahydro-6,10:11,12a-dimethanoindolo[3,2-b]quinolizin-7-iumiodide
Smiles: CCCCCCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C4[C@H]1CC1([C@H](C2C3)N(C)c2c1cccc2)[C@H]4O

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Saltdata: I-
Molecular Weight: 425.63
Empirical Formula: C27H41N2O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -2.553
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 43
Number of rings: 7

     

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