COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550704
Chemical Name: (1S,5S)-3-{[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1ccc(cc1OC)c1[nH]nc(c1)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

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Molecular Weight: 465.47
Empirical Formula: C23H23N5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.617
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 133
Number of rings: 5

     

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