COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561911
Chemical Name: (1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxamide
Smiles: CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCS(=O)(=O)NC(C)C

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Molecular Weight: 541.67
Empirical Formula: C27H35N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.277
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 136
Number of rings: 5

     

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