COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807044
Chemical Name: 2-(3-{5-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(c1ccccc1)CSc1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 532.62
Empirical Formula: C31H24N4O3S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 5.836
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 110
Number of rings: 6

     

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