COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526209
Chemical Name: (3E,5xi,9xi,13xi,17xi,18xi)-3-(hydroxyimino)lup-20(29)-en-28-ylacetate
Smiles: O/N=C/1\CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)COC(=O)C)C)C

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Molecular Weight: 497.76
Empirical Formula: C32H51NO3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 9.689
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 58
Number of rings: 5

     

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