COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444007
Chemical Name: 2-[3-(4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1n(CCCc2nnc(n2c2ccccc2)SC/C=C/c2ccccc2)c(=O)c2c3c1cccc3ccc2

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Molecular Weight: 530.65
Empirical Formula: C32H26N4O2S

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 6.738
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 6

     

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