COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553225
Chemical Name: 4,4'-[(5xi,9xi,13xi,17xi,18xi,19xi)-lup-20(29)-ene-3,28-diylbis(oxy)]bis(4-oxobutanoate)
Smiles: O=C(OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)CCC(=O)[O-])C(=C)C)CCC(=O)[O-]

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Saltdata: 2Na+
Molecular Weight: 640.86
Empirical Formula: C38H56O8

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 10.029
Rotatable bonds: 9
H-donors: 0
H-acceptors: 8
PSA: 132
Number of rings: 5

     

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