COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK978163
Chemical Name: methyl4-[({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 562.65
Empirical Formula: C32H26N4O4S

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 6.112
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 6

     

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