COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206118
Chemical Name: (4-butoxyphenyl)(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)methanone
Smiles: CCCCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[N+](=O)[O-]

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Molecular Weight: 489.57
Empirical Formula: C27H31N5O4

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 5.086
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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