COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL482870
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-{[(pyridin-3-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NCc1cccnc1)c1nc2c(s1)cccc2

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Molecular Weight: 471.61
Empirical Formula: C25H21N5OS2

Physical State: Dry powder
Available Amount: 187 mg

Lipinsky:
logP: 5.025
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 124
Number of rings: 5

     

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