COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK303001
Chemical Name: methyl2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)nnc1c1cc(nn1C)C

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Molecular Weight: 566.71
Empirical Formula: C27H30N6O4S2

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 6.951
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 166
Number of rings: 5

     

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