COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143153
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(c(c1)N/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C)OC

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Molecular Weight: 408.48
Empirical Formula: C21H20N4O3S

Physical State: Dry powder
Available Amount: 143 mg

Lipinsky:
logP: 3.792
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 4

     

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