COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868268
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-{(E)-[(3-methoxypropyl)imino]methyl}-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: COCCC/N=C/c1c([nH]n(c1=O)c1nc2c(s1)cccc2)c1ccccc1

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Molecular Weight: 392.48
Empirical Formula: C21H20N4O2S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.894
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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