COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295353
Chemical Name: 4-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3,5-dimethylphenylthiocyanate
Smiles: N#CSc1cc(C)c(c(c1)C)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)Cl)C

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Molecular Weight: 396.9
Empirical Formula: C20H17ClN4OS

Physical State: Dry powder
Available Amount: 349 mg

Lipinsky:
logP: 3.95
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 93
Number of rings: 3

     

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