COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK728322
Chemical Name: 2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl3-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate
Smiles: O=C(c1cccc(c1)N1C(=O)c2c(C1=O)c(C)nc1c2cccc1)OCC(=O)c1ccc(cc1)Oc1c(Cl)cccc1[N+](=O)[O-]

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Molecular Weight: 621.99
Empirical Formula: C33H20ClN3O8

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 6.301
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 148
Number of rings: 6

     

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