COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL508397
Chemical Name: ethyl4-[(4E)-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3,5-dioxopyrazolidin-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 447.4
Empirical Formula: C23H17N3O7

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 4.622
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 134
Number of rings: 4

     

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