COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889223
Chemical Name: (2E)-1-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(3-nitrophenyl)prop-2-en-1-one
Smiles: CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 551.64
Empirical Formula: C33H33N3O5

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 7.261
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 5

     

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