COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810750
Chemical Name: 6-[(5Z)-5-(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(=S)S/C(=C\2/c3cc(Br)ccc3N(C2=O)C)/C1=O

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Saltdata: 1/3 CH3COOH
Molecular Weight: 469.38
Empirical Formula: C18H17BrN2O4S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 1.373
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 135
Number of rings: 3

     

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