COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524454
Chemical Name: (4aR,6aR)-4a,6a-dimethyl-8-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl{[3-(3-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
Smiles: COc1cccc(c1)Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC(C2)C(CCCC(C)C)C)C)C1)C

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Molecular Weight: 739.01
Empirical Formula: C47H62O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 14.69
Rotatable bonds: 13
H-donors: 0
H-acceptors: 7
PSA: 80
Number of rings: 7

     

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