COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170499
Chemical Name: 4-[(E)-{[2-(1H-indol-3-yl)ethyl]imino}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/CCc1c[nH]c2c1cccc2)C

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Molecular Weight: 389.41
Empirical Formula: C21H19N5O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.834
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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