COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467603
Chemical Name: methyl2-{[({5-[3-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4-(2,5-dimethylphenyl)thiophene-3-carboxylate
Smiles: COC(=O)c1c(scc1c1cc(C)ccc1C)NC(=O)CSc1nnc(n1CC)c1cccc(c1)N(C)C

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Molecular Weight: 549.72
Empirical Formula: C28H31N5O3S2

Physical State: Dry powder
Available Amount: 453 mg

Lipinsky:
logP: 7.539
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 142
Number of rings: 4

     

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