COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527530
Chemical Name: (8xi,14xi,17alpha)-5,14-dihydroxy-3,19-bis(nitrooxy)card-20(22)-enolide
Smiles: [O-][N+](=O)OC[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O[N+](=O)[O-]

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Molecular Weight: 496.51
Empirical Formula: C23H32N2O10

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.928
Rotatable bonds: 4
H-donors: 2
H-acceptors: 10
PSA: 176
Number of rings: 5

     

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