COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK271823
Chemical Name: 2,3-bis{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}naphthalene-1,4-dione
Smiles: CCn1c(nnc1c1ccc(cc1)C)SC1=C(Sc2nnc(n2CC)c2ccc(cc2)C)C(=O)c2c(C1=O)cccc2

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Molecular Weight: 592.75
Empirical Formula: C32H28N6O2S2

Physical State: Dry powder
Available Amount: 215 mg

Lipinsky:
logP: 8.951
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 146
Number of rings: 6

     

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