COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524770
Chemical Name: (8xi,14xi,17xi)-3,5,14-trihydroxy-19-(nitrooxy)card-20(22)-enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)CO[N+](=O)[O-]

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Molecular Weight: 451.52
Empirical Formula: C23H33NO8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.741
Rotatable bonds: 5
H-donors: 3
H-acceptors: 8
PSA: 142
Number of rings: 5

     

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