COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553516
Chemical Name: (1S,5R)-9-nitro-3-{4-[1-(propan-2-yl)-1H-indol-3-yl]butanoyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])CCCc1cn(c2c1cccc2)C(C)C

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Molecular Weight: 462.55
Empirical Formula: C26H30N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.205
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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