COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525483
Chemical Name: (8xi,14xi,17xi)-3,12-bis(acetyloxy)-14-hydroxycard-20(22)-enolide
Smiles: CC(=O)OC1C[C@H]2C(C3([C@@]1(C)C(CC3)C1=CC(=O)OC1)O)CCC1[C@]2(C)CCC(C1)OC(=O)C

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Molecular Weight: 474.59
Empirical Formula: C27H38O7

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 2.588
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 99
Number of rings: 5

     

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