COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL175471
Chemical Name: (16E)-3-methoxy-16-[4-(propan-2-yl)benzylidene]estra-1,3,5(10)-trien-17-one
Smiles: COc1ccc2c(c1)CCC1C2CCC2(C1C/C(=C\c1ccc(cc1)C(C)C)/C2=O)C

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Molecular Weight: 414.59
Empirical Formula: C29H34O2

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 8.022
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 26
Number of rings: 5

     

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