COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK392155
Chemical Name: (4Z)-1-(3,4-dimethylphenyl)-4-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]pyrazolidine-3,5-dione
Smiles: O=C1NN(C(=O)/C/1=C\c1c(O)ccc2c1ccc(c2)[N+](=O)[O-])c1ccc(c(c1)C)C

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Molecular Weight: 403.39
Empirical Formula: C22H17N3O5

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 5.071
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 115
Number of rings: 4

     

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