COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056877
Chemical Name: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-hexadecyl-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCCCCCCCCCCCCCCCN1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

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Molecular Weight: 583.17
Empirical Formula: C33H43ClN2O5

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 11.282
Rotatable bonds: 16
H-donors: 1
H-acceptors: 5
PSA: 103
Number of rings: 3

     

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