COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998653
Chemical Name: 7,9b-dihydroxy-3a,6,7-trimethyl-3-(5-oxo-2,5-dihydrofuran-3-yl)dodecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate
Smiles: O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC(C1(C)C(=O)[O-])(C)O)O

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Saltdata: 1/2 (NH3+)(CH2)5(NH3+)
Molecular Weight: 377.46
Empirical Formula: C21H29O6

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 0.879
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 106
Number of rings: 4

     

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