COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL070014
Chemical Name: 4-[2-({(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Smiles: C=CCNC(=S)N1CCN(CC1)CCN/C=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 457.56
Empirical Formula: C21H27N7O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.064
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 141
Number of rings: 3

     

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