COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446658
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/Nc1ccc(cc1)C)\C)c1nc2c(s1)cccc2

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Molecular Weight: 484.65
Empirical Formula: C27H24N4OS2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.991
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 111
Number of rings: 5

     

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