COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097386
Chemical Name: (4Z)-1-(3-chloro-4-methylphenyl)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]pyrazolidine-3,5-dione
Smiles: C#CCOc1ccc(cc1OCC)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)Cl)C

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Molecular Weight: 410.86
Empirical Formula: C22H19ClN2O4

Physical State: Dry powder
Available Amount: 81 mg

Lipinsky:
logP: 4.624
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 3

     

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