COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL399428
Chemical Name: (2E)-1-(1,3-dimethyl-1H-pyrazol-5-yl)-3-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}prop-2-en-1-one
Smiles: COc1ccc(cc1CSc1ccccn1)/C=C/C(=O)c1cc(nn1C)C

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Molecular Weight: 379.48
Empirical Formula: C21H21N3O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.753
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 3

     

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