COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998683
Chemical Name: methyl(2Z,5xi,9xi,13xi,17xi,18xi)-2-(4-chlorobenzylidene)-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/c1ccc(cc1)Cl)/C(=O)C3(C)C)C(=C)C

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Molecular Weight: 591.27
Empirical Formula: C38H51ClO3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 11.71
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 6

     

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