COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL359445
Chemical Name: 4-({(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-nitrophenylthiocyanate
Smiles: N#CSc1ccc(cc1[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1ccc(cc1)I)C

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Molecular Weight: 505.3
Empirical Formula: C18H12IN5O3S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 4.054
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 139
Number of rings: 3

     

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