COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174603
Chemical Name: (16E)-16-(1,3-benzodioxol-5-ylmethylidene)-3-methoxyestra-1(10),2,4-trien-17-ol
Smiles: COc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1ccc3c(c1)OCO3)/C2O)C

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Molecular Weight: 418.53
Empirical Formula: C27H30O4

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 6.621
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 47
Number of rings: 6

     

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