COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295617
Chemical Name: (4E)-4-({[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino}methylidene)-5-methyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)c1nnc(s1)N/C=C/1\C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C

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Molecular Weight: 494.79
Empirical Formula: C20H14Cl3N5O2S

Physical State: Dry powder
Available Amount: 225 mg

Lipinsky:
logP: 5.566
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 107
Number of rings: 4

     

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