COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK310162
Chemical Name: (2E)-3-{3-methoxy-4-[(phenylsulfanyl)methyl]phenyl}-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)c2ccc(cc2)N2CCCCC2)ccc1CSc1ccccc1

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Molecular Weight: 443.61
Empirical Formula: C28H29NO2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.328
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 54
Number of rings: 4

     

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