COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK332620
Chemical Name: 3-nitro-4-({2-[(3-nitro-2-oxo-2H-chromen-4-yl)(phenyl)amino]ethyl}sulfanyl)-2H-chromen-2-one
Smiles: [O-][N+](=O)c1c(=O)oc2c(c1SCCN(c1c([N+](=O)[O-])c(=O)oc3c1cccc3)c1ccccc1)cccc2

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Molecular Weight: 531.5
Empirical Formula: C26H17N3O8S

Physical State: Dry powder
Available Amount: 279 mg

Lipinsky:
logP: 3.172
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 172
Number of rings: 5

     

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