COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552946
Chemical Name: (3alpha,5alpha,8xi,9xi,14xi)-3,17-bis(acetyloxy)-2,16-bis(1-methylpiperidinium-1-yl)androstane
Smiles: CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(CC1[N+]1(C)CCCCC1)C)CC[C@]1(C3CC(C1OC(=O)C)[N+]1(C)CCCCC1)C

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Saltdata: 2 Br-
Molecular Weight: 572.87
Empirical Formula: C35H60N2O4

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 0.745
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 6

     

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