COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566583
Chemical Name: 4-[(E)-{2-[4-(3-chloro-4-methylphenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]-2-nitrophenolate
Smiles: O=C1N=C(S/C/1=C/c1ccc(c(c1)[N+](=O)[O-])[O-])N1CC[NH+](CC1)c1ccc(c(c1)Cl)C

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Molecular Weight: 458.93
Empirical Formula: C21H19ClN4O4S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 4.426
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 131
Number of rings: 4

     

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