COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK788482
Chemical Name: 2-[3-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCCCC1)CSc1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 539.66
Empirical Formula: C30H29N5O3S

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 5.012
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 6

     

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