COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL511706
Chemical Name: 9-nitro-3-[6-(1H-pyrrol-1-yl)hexanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(N1CC2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])CCCCCn1cccc1

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Molecular Weight: 398.46
Empirical Formula: C21H26N4O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.43
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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