COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK963974
Chemical Name: 1,3-dimethyl-4-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide
Smiles: Cc1cc(Oc2cc(cc(c2)[N+](=O)[O-])NC(=O)c2n(C)nc(c2[N+](=O)[O-])C)c(c(c1)C)C

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Molecular Weight: 439.43
Empirical Formula: C21H21N5O6

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.481
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 147
Number of rings: 3

     

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