COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807238
Chemical Name: ethyl2-{[({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(n2c2ccccc2)COc2ccc3c(c2)OCO3)sc2c1CCCC2

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Molecular Weight: 592.7
Empirical Formula: C29H28N4O6S2

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 8.115
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 167
Number of rings: 6

     

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