COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807743
Chemical Name: 2-(3-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1n(CCCSc2nnc(n2c2ccccc2)c2cccs2)c(=O)c2c3c1cccc3ccc2

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Molecular Weight: 496.61
Empirical Formula: C27H20N4O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.15
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 121
Number of rings: 6

     

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