COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170828
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[4-(4-bromophenoxy)phenyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(cc1)Oc1ccc(cc1)N/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C

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Molecular Weight: 573.39
Empirical Formula: C25H16BrF3N4O2S

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 9.004
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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