COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527999
Chemical Name: 4-tert-butyl-N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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Molecular Weight: 505.64
Empirical Formula: C28H31N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.486
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 5

     

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