COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL388084
Chemical Name: methyl4-[(4E)-4-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3,5-dioxopyrazolidin-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)N1NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2)Cl)/C1=O

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Molecular Weight: 422.82
Empirical Formula: C22H15ClN2O5

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 5.131
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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