COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172917
Chemical Name: (1R,3S,5R,7S)-3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: O=C([C@]12C[C@@H]3C[C@H](C1)C[C@](C2)(C3)n1nc(nc1Br)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)N1CCCC1

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Molecular Weight: 579.47
Empirical Formula: C23H27BrN6O5S

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 4.18
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 151
Number of rings: 7

     

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