COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021394
Chemical Name: 4-({(2E)-2-cyano-2-[5-(4-methylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetyl}amino)-1-methylpiperazin-1-ium
Smiles: N#C/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)C)/C(=O)NN1CC[NH+](CC1)C

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Saltdata: Br-
Molecular Weight: 462.6
Empirical Formula: C25H28N5O2S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 2.306
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 106
Number of rings: 4

     

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