COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553462
Chemical Name: (5aR,8R,9S,10R,11S,11aS,13S)-9-ethyl-8,13-dihydroxy-5-methyl-7-((tetrahydro-2H-pyran-2-yl)methyl)-5,5a,6,7,8,9,10,11,11a,12-decahydro-6,10:11,12a-dimethanoindolo[3,2-b]quinolizin-7-iumbromide
Smiles: CC[C@H]1[C@H]2CC3[N+]([C@@H]1O)([C@H]1C2[C@H](O)C2([C@H]3N(C)c3c2cccc3)C1)CC1CCCCO1

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Saltdata: Br-
Molecular Weight: 425.59
Empirical Formula: C26H37N2O3

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: -4.229
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 52
Number of rings: 8

     

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