COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170439
Chemical Name: 4-[(E)-(cycloheptylimino)methyl]-5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: [O-][N+](=O)c1ccc(cc1)n1[nH]c(c(c1=O)/C=N/C1CCCCCC1)C

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Molecular Weight: 342.4
Empirical Formula: C18H22N4O3

Physical State: Dry powder
Available Amount: 12 mg

Lipinsky:
logP: 4.341
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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