COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK043544
Chemical Name: 2-{2-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-oxoethyl}-4-nitro-1H-isoindole-1,3(2H)-dione
Smiles: Clc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]

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Molecular Weight: 517.97
Empirical Formula: C28H24ClN3O5

Physical State: Dry powder
Available Amount: 447 mg

Lipinsky:
logP: 6.967
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 5

     

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