COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000058
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(pyrrolidin-1-yl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C(\N1CCCC1)/C)C(F)(F)F)c1nc2c(s1)cccc2

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Saltdata: H2O
Molecular Weight: 380.39
Empirical Formula: C17H15F3N4OS

Physical State: Dry powder
Available Amount: 413 mg

Lipinsky:
logP: 5.671
Rotatable bonds: 0
H-donors: 0
H-acceptors: 1
PSA: 77
Number of rings: 4

     

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