COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549490
Chemical Name: (1S,5S)-3-[(2S)-4-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CC(C[C@H](N1Cc2c(C1=O)cccc2)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])C

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Molecular Weight: 464.52
Empirical Formula: C25H28N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.34
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 106
Number of rings: 5

     

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