COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL375792
Chemical Name: 2-bromo-6-methoxy-4-[(E)-(4-oxo-2-thioxo-3-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}-1,3-thiazolidin-5-ylidene)methyl]phenyl(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)NC(=O)C23C[C@@H]4C[C@H](C3)C[C@H](C2)C4)cc(c1OC(=O)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)Br

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Molecular Weight: 685.7
Empirical Formula: C33H37BrN2O5S2

Physical State: Dry powder
Available Amount: 1614 mg

Lipinsky:
logP: 8.054
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 142
Number of rings: 10

     

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