COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174651
Chemical Name: (16E)-3-butoxy-16-[(1-methyl-1H-pyrazol-4-yl)methylidene]estra-1(10),2,4-trien-17-one
Smiles: CCCCOc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1cnn(c1)C)/C2=O)C

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Molecular Weight: 418.58
Empirical Formula: C27H34N2O2

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 6.226
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 44
Number of rings: 5

     

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