COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170930
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-{[(pyridin-3-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\NCc1cccnc1)c1ccccc1)c1nc2c(s1)cccc2

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Molecular Weight: 411.49
Empirical Formula: C23H17N5OS

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 3.832
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 98
Number of rings: 5

     

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