COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062924
Chemical Name: ethyl4-({(1E)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=C(/c1c([nH]n(c1=O)c1nc2c(s1)cccc2)c1ccccc1)\C

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Molecular Weight: 482.56
Empirical Formula: C27H22N4O3S

Physical State: Dry powder
Available Amount: 565 mg

Lipinsky:
logP: 6.168
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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