COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL070015
Chemical Name: N-ethyl-4-[2-({(Z)-[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Smiles: CCCC1=NN(C(=O)/C/1=C\NCCN1CCN(CC1)C(=S)NCC)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 473.6
Empirical Formula: C22H31N7O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.831
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 141
Number of rings: 3

     

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