COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550485
Chemical Name: (1S,5R)-3-[(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)acetyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

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Molecular Weight: 494.5
Empirical Formula: C25H26N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.709
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 125
Number of rings: 5

     

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