COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807717
Chemical Name: 2-(3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1c2cccc3c2c(c(=O)n1CCCSc1nnc(n1c1ccccc1)c1ccncc1)ccc3

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Molecular Weight: 491.57
Empirical Formula: C28H21N5O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.286
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 106
Number of rings: 6

     

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