COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526398
Chemical Name: methyl(2Z,5xi,9xi,13xi,17xi,18xi)-2-(furan-2-ylmethylidene)-3-oxolup-20(29)-en-28-oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1ccco1)/C(=O)C3(C)C)C(=C)C

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Molecular Weight: 546.79
Empirical Formula: C36H50O4

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 10.807
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 56
Number of rings: 6

     

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