COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050923
Chemical Name: (2E)-6-(4-benzylpiperazin-1-yl)-2-[(3-chlorophenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: Clc1cccc(c1)/N=c\1/nc(N)c(c([nH]1)N1CCN(CC1)Cc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 439.9
Empirical Formula: C21H22ClN7O2

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.558
Rotatable bonds: 0
H-donors: 3
H-acceptors: 2
PSA: 115
Number of rings: 4

     

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