COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158176
Chemical Name: 2,2-dimethyl-1-(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)propan-1-one
Smiles: O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[N+](=O)[O-]

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Molecular Weight: 397.48
Empirical Formula: C21H27N5O3

Physical State: Dry powder
Available Amount: 435 mg

Lipinsky:
logP: 3.487
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 3

     

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