COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK205958
Chemical Name: 2,2-dimethyl-1-(4-{4-nitro-3-[(tetrahydrofuran-2-ylmethyl)amino]phenyl}piperazin-1-yl)propan-1-one
Smiles: O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NCC1CCCO1)[N+](=O)[O-]

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Molecular Weight: 390.48
Empirical Formula: C20H30N4O4

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 3.279
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 90
Number of rings: 3

     

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