COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042189
Chemical Name: 2-chloro-N-[(1E)-1-[4-(diethylamino)phenyl]-3-{(2E)-2-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Smiles: CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(cc2)N(CC)CC)/NC(=O)c2ccccc2Cl)ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 701.14
Empirical Formula: C35H33ClN6O8

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 7.631
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 183
Number of rings: 4

     

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