COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL511714
Chemical Name: 9-nitro-3-[(3,4,5-trimethoxyphenyl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1c(OC)cc(cc1OC)C(=O)N1CC2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

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Molecular Weight: 429.43
Empirical Formula: C21H23N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.438
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 114
Number of rings: 4

     

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