COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525034
Chemical Name: (8xi,14xi,17xi)-14-hydroxy-3-(nitrooxy)-19-oxocard-20(22)-enolide
Smiles: O=C[C@]12CCC(CC1CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)O[N+](=O)[O-]

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Molecular Weight: 433.5
Empirical Formula: C23H31NO7

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 2.63
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 118
Number of rings: 5

     

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