COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550356
Chemical Name: (1R,5S)-3-{[(8,8-dimethyl-2-oxo-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=c1cc(c2ccccc2)c2c(o1)c1CCC(Oc1cc2OCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])(C)C

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Molecular Weight: 597.62
Empirical Formula: C33H31N3O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.252
Rotatable bonds: 3
H-donors: 0
H-acceptors: 8
PSA: 131
Number of rings: 7

     

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