COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295352
Chemical Name: 4-({(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2,5-dichlorophenylthiocyanate
Smiles: N#CSc1cc(Cl)c(cc1Cl)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)Br)C

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Molecular Weight: 482.19
Empirical Formula: C18H11BrCl2N4OS

Physical State: Dry powder
Available Amount: 345 mg

Lipinsky:
logP: 4.821
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 93
Number of rings: 3

     

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