COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK742061
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(3,4-dichlorobenzyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\NCc1ccc(c(c1)Cl)Cl)C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 471.29
Empirical Formula: C19H11Cl2F3N4OS

Physical State: Dry powder
Available Amount: 580 mg

Lipinsky:
logP: 7.129
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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