COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207121
Chemical Name: N-ethyl-4-[2-({(1Z)-1-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]piperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)CCN/C(=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/C

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Molecular Weight: 459.57
Empirical Formula: C21H29N7O3S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 1.32
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 141
Number of rings: 3

     

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