COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK814561
Chemical Name: 2-[(5Z)-5-(5-bromo-1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonicacid
Smiles: CCCCN1C(=O)/C(=C/2\SC(=S)N(C2=O)CCS(=O)(=O)O)/c2c1ccc(c2)Br

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Saltdata: 1/2CH3COOH
Molecular Weight: 505.43
Empirical Formula: C17H17BrN2O5S3

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 0.615
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 160
Number of rings: 3

     

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