COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295732
Chemical Name: 4-({(E)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenylthiocyanate
Smiles: N#CSc1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C

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Molecular Weight: 437.74
Empirical Formula: C18H11Cl3N4OS

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 4.257
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 93
Number of rings: 3

     

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