COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524933
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[(2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C)C)C

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Molecular Weight: 708.98
Empirical Formula: C46H60O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 14.776
Rotatable bonds: 11
H-donors: 0
H-acceptors: 6
PSA: 71
Number of rings: 7

     

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