COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525133
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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}aceta
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)C)C

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Molecular Weight: 765.04
Empirical Formula: C49H64O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 14.596
Rotatable bonds: 11
H-donors: 0
H-acceptors: 7
PSA: 80
Number of rings: 8

     

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