COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444008
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1cc(CCNC(=O)CSc2nnc(n2c2ccccc2)CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)ccc1OC

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Molecular Weight: 635.74
Empirical Formula: C35H33N5O5S

Physical State: Dry powder
Available Amount: 257 mg

Lipinsky:
logP: 5.141
Rotatable bonds: 11
H-donors: 1
H-acceptors: 5
PSA: 140
Number of rings: 6

     

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