COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK688380
Chemical Name: ethyl4-methyl-5-[(2-methylphenyl)carbamoyl]-2-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)sc(c1C)C(=O)Nc1ccccc1C

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Molecular Weight: 550.7
Empirical Formula: C28H30N4O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.995
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 151
Number of rings: 5

     

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