COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL402815
Chemical Name: (5Z)-5-(3-nitrobenzylidene)-2-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)Cc1c(C)nn(c1C)C

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Molecular Weight: 440.53
Empirical Formula: C21H24N6O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.147
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 124
Number of rings: 4

     

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