COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK320032
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/O

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Molecular Weight: 335.39
Empirical Formula: C18H13N3O2S

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 4.002
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 4

     

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