COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431941
Chemical Name: (2-{(Z)-[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile
Smiles: N#CCOc1c(cccc1OC)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)Cl)C

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Molecular Weight: 397.82
Empirical Formula: C20H16ClN3O4

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 3.805
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 3

     

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