COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551182
Chemical Name: (1S,5S)-3-[(1-methyl-1H-indol-5-yl)carbonyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(c1ccc2c(c1)ccn2C)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

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Molecular Weight: 392.41
Empirical Formula: C21H20N4O4

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 0.411
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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