COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525888
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[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)C)C

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Molecular Weight: 642.92
Empirical Formula: C42H58O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 13.201
Rotatable bonds: 10
H-donors: 0
H-acceptors: 5
PSA: 61
Number of rings: 7

     

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