COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810127
Chemical Name: 4-{(5Z)-5-[1-(4-chlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)Cc2ccc(cc2)Cl)/C1=O

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Saltdata: 1/3CH3COOH
Molecular Weight: 472.97
Empirical Formula: C22H17ClN2O4S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 2.399
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 135
Number of rings: 4

     

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