COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149858
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-chlorobenzyl)amino]ethylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/NCc1ccccc1Cl

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Molecular Weight: 458.97
Empirical Formula: C25H19ClN4OS

Physical State: Dry powder
Available Amount: 407 mg

Lipinsky:
logP: 6.471
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 5

     

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