COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL430974
Chemical Name: (4Z)-1-(3,4-dimethylphenyl)-4-[(2E)-3-(3-nitrophenyl)prop-2-en-1-ylidene]pyrazolidine-3,5-dione
Smiles: O=C1NN(C(=O)/C/1=C\C=C\c1cccc(c1)[N+](=O)[O-])c1ccc(c(c1)C)C

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Molecular Weight: 363.37
Empirical Formula: C20H17N3O4

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 3.789
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 3

     

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