COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807042
Chemical Name: 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Smiles: O=C(Nc1nnc(s1)SCC(=O)c1ccc(cc1)F)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 534.59
Empirical Formula: C26H19FN4O4S2

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 3.849
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 162
Number of rings: 5

     

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