COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172578
Chemical Name: (4E)-4-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2ccc(cc2)I)C)cc(c1O)Cl

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Molecular Weight: 468.68
Empirical Formula: C18H14ClIN2O3

Physical State: Dry powder
Available Amount: 18 mg

Lipinsky:
logP: 4.372
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 62
Number of rings: 3

     

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