COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL417449
Chemical Name: 2-bromo-4-[(1Z)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-6-methoxyphenyltricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: CCOC(=O)/C(=C\c1cc(Br)c(c(c1)OC)OC(=O)C12CC3CC(C2)CC(C1)C3)/C#N

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Molecular Weight: 488.38
Empirical Formula: C24H26BrNO5

Physical State: Dry powder
Available Amount: 175 mg

Lipinsky:
logP: 5.39
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 85
Number of rings: 5

     

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