COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133096
Chemical Name: 2,2,4-trimethyl-1-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-1,2-dihydroquinolin-6-yl(2E)-3-(3-nitrophenyl)prop-2-enoate
Smiles: O=C(Oc1ccc2c(c1)C(=CC(N2C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])(C)C)C)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 539.54
Empirical Formula: C30H25N3O7

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.181
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 138
Number of rings: 4

     

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