COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741883
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(2-hydroxyethyl)ethanimidoyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: OCC/N=C(/c1c(C)[nH]n(c1=O)c1nc2c(s1)cccc2)\C

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Molecular Weight: 316.38
Empirical Formula: C15H16N4O2S

Physical State: Dry powder
Available Amount: 281 mg

Lipinsky:
logP: 2.048
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 106
Number of rings: 3

     

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