COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK845024
Chemical Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-nitropyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NC1CCCCC1)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 411.51
Empirical Formula: C21H29N7O2

Physical State: Dry powder
Available Amount: 368 mg

Lipinsky:
logP: 6.766
Rotatable bonds: 1
H-donors: 3
H-acceptors: 2
PSA: 116
Number of rings: 4

     

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