COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419293
Chemical Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenyltricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: COc1cc(cc(c1OC(=O)C12CC3CC(C2)CC(C1)C3)Br)/C=C(/c1nc2c([nH]1)cccc2)\C#N

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Molecular Weight: 532.44
Empirical Formula: C28H26BrN3O3

Physical State: Dry powder
Available Amount: 183 mg

Lipinsky:
logP: 6.989
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 7

     

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