COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK378846
Chemical Name: 3-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonyl}-2H-chromen-2-one
Smiles: Clc1cc(ccc1N1CCN(CC1)C(=O)c1cc2ccccc2oc1=O)[N+](=O)[O-]

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Molecular Weight: 413.82
Empirical Formula: C20H16ClN3O5

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 3.639
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 95
Number of rings: 4

     

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