COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL533114
Chemical Name: propyl6-methyl-2-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCOC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)sc2c1CCC(C2)C

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Molecular Weight: 485.67
Empirical Formula: C25H31N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.833
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 122
Number of rings: 5

     

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