COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528884
Chemical Name: (3beta,5xi,9xi,18xi)-3-(acetyloxy)lup-20(29)-en-28-yl4-hydrazinyl-4-oxobutanoate
Smiles: NNC(=O)CCC(=O)OC[C@@]12CC[C@H](C2[C@@H]2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)C(=C)C

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Molecular Weight: 598.87
Empirical Formula: C36H58N2O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 9.256
Rotatable bonds: 6
H-donors: 3
H-acceptors: 5
PSA: 107
Number of rings: 5

     

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