COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589881
Chemical Name: (1-ethyl-4-nitro-1H-pyrazol-3-yl)[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]methanone
Smiles: COc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)c1nn(cc1[N+](=O)[O-])CC

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Molecular Weight: 428.49
Empirical Formula: C22H28N4O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.446
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 4

     

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