COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525551
Chemical Name: (8xi,14xi,17xi)-3,5,14-trihydroxy-19-nitrilocard-20(22)-enolide
Smiles: N#C[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O

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Molecular Weight: 401.5
Empirical Formula: C23H31NO5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: -0.137
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 110
Number of rings: 5

     

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