COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK610174
Chemical Name: 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-[(2E)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]butanamide
Smiles: O=C(/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)C)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 493.56
Empirical Formula: C24H19N3O5S2

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 1.755
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 146
Number of rings: 5

     

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