COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355920
Chemical Name: 3-[4-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)phenyl]-2H-chromen-2-one
Smiles: O=C(c1ccc(cc1)c1cc2ccccc2oc1=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 523.47
Empirical Formula: C27H20F3N3O5

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 5.735
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 95
Number of rings: 5

     

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