COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132840
Chemical Name: 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{(E)-[(2-hydroxyethyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one
Smiles: OCC/N=C/c1c(CSc2ccc(cc2)Cl)[nH]n(c1=O)c1nc2c(s1)cccc2

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Molecular Weight: 444.97
Empirical Formula: C20H17ClN4O2S2

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 5.479
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 131
Number of rings: 4

     

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