COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553209
Chemical Name: (8xi,9xi,14xi,17xi)-14-hydroxy-16-[(trimethylammonio)acetyl]-3-{[(trimethylammonio)acetyl]oxy}card-20(22)-enolide
Smiles: O=C1OCC(=C1)C1C(CC2([C@]1(C)CCC1C2CCC2[C@]1(C)CCC(C2)OC(=O)C[N+](C)(C)C)O)C(=O)C[N+](C)(C)C

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Saltdata: 2 Br-
Molecular Weight: 574.8
Empirical Formula: C33H54N2O6

Physical State: Dry powder
Available Amount: 223 mg

Lipinsky:
logP: -0.85
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 5

     

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