COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040005
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methoxyphenyl)ethanimidoyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)/N=C(/c1c([nH]n(c1=O)c1nc2c(s1)cccc2)c1ccccc1)\C

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Molecular Weight: 440.53
Empirical Formula: C25H20N4O2S

Physical State: Dry powder
Available Amount: 338 mg

Lipinsky:
logP: 5.107
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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