COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL079504
Chemical Name: 4-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-1,3,4-thiadiazol-2-yl}amino)benzenesulfonate
Smiles: O=c1n(CCCc2nnc(s2)Nc2ccc(cc2)S(=O)(=O)[O-])c(=O)c2c3c1cccc3ccc2

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Saltdata: Na+
Molecular Weight: 493.54
Empirical Formula: C23H17N4O5S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.625
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 169
Number of rings: 5

     

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