COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444002
Chemical Name: 2-({5-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-hydroxypropyl)acetamide
Smiles: OCCCNC(=O)CSc1nnc(n1c1ccccc1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 515.59
Empirical Formula: C27H25N5O4S

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 2.745
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 142
Number of rings: 5

     

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