COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK287111
Chemical Name: 4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1-carboxylate
Smiles: COc1cc(ccc1OC(=O)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)/C=C(\c1nc2c([nH]1)cccc2)/C#N

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Molecular Weight: 453.54
Empirical Formula: C28H27N3O3

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 6.163
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 7

     

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