COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741718
Chemical Name: (4E)-4-{1-[2-(1,3-benzothiazol-2-yl)hydrazinyl]ethylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/NNc1nc2c(s1)cccc2

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Molecular Weight: 408.44
Empirical Formula: C19H16N6O3S

Physical State: Dry powder
Available Amount: 600 mg

Lipinsky:
logP: 3.543
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 143
Number of rings: 4

     

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