COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177205
Chemical Name: (2E)-2-[(17E)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoate
Smiles: CC(=O)OC1CC2(C(/C/1=C(\C(=O)[O-])/CCC=C(C)C)CC(C1C2(C)CCC2C1(C)CCC(C2C)O)O)C

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Saltdata: Na+
Molecular Weight: 515.71
Empirical Formula: C31H47O6

Physical State: Dry powder
Available Amount: 1837 mg

Lipinsky:
logP: 6.415
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 106
Number of rings: 4

     

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