COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL033612
Chemical Name: 4-[(1-{[(3-carboxypropanoyl)oxy]methyl}-1,4a-dimethyl-6-methylidene-5-[(E)-2-(2-oxo-2,5-dihydrofuran-3-yl)ethenyl]decahydronaphthalen-2-yl)oxy]-4-oxobutanoate
Smiles: [O-]C(=O)CCC(=O)OC1CCC2(C(C1(C)COC(=O)CCC(=O)O)CCC(=C)C2/C=C/C1=CCOC1=O)C

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Saltdata: K+
Molecular Weight: 531.58
Empirical Formula: C28H35O10

Physical State: Dry powder
Available Amount: 1509 mg

Lipinsky:
logP: 2.85
Rotatable bonds: 13
H-donors: 1
H-acceptors: 10
PSA: 156
Number of rings: 3

     

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