COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013179
Chemical Name: (2-fluorophenyl)(4-{4-nitro-3-[(4-phenylbutan-2-yl)amino]phenyl}piperazin-1-yl)methanone
Smiles: CC(Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccccc1F)CCc1ccccc1

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Molecular Weight: 476.55
Empirical Formula: C27H29FN4O3

Physical State: Dry powder
Available Amount: 294 mg

Lipinsky:
logP: 5.464
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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