COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL178656
Chemical Name: (2E)-3-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
Smiles: COc1ccc(cc1CSc1ccccn1)/C=C/C(=O)c1ccc(cc1)N1CCCCC1

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Molecular Weight: 444.6
Empirical Formula: C27H28N2O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.306
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 67
Number of rings: 4

     

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