COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK466980
Chemical Name: methyl2-{[({5-[4-(diethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4-(2,5-dimethylphenyl)thiophene-3-carboxylate
Smiles: CCN(c1ccc(cc1)c1nnc(n1C)SCC(=O)Nc1scc(c1C(=O)OC)c1cc(C)ccc1C)CC

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Molecular Weight: 563.74
Empirical Formula: C29H33N5O3S2

Physical State: Dry powder
Available Amount: 515 mg

Lipinsky:
logP: 8.278
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 142
Number of rings: 4

     

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