COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097567
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 507.66
Empirical Formula: C31H29N3O2S

Physical State: Dry powder
Available Amount: 407 mg

Lipinsky:
logP: 9.367
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 5

     

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