COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK398576
Chemical Name: (2E)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Smiles: COc1ccc(cc1CSc1nc2c([nH]1)cccc2)/C=C/C(=O)C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 458.62
Empirical Formula: C28H30N2O2S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 7.036
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 7

     

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