COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL012054
Chemical Name: 2-{2-[5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: C=CCn1c(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1SC/C=C/c1ccccc1

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Molecular Weight: 480.59
Empirical Formula: C28H24N4O2S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 5.16
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 5

     

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