COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086331
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(morpholin-4-yl)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/N1CCOCC1

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Saltdata: 2 H2O
Molecular Weight: 410.42
Empirical Formula: C18H17F3N4O2S

Physical State: Dry powder
Available Amount: 771 mg

Lipinsky:
logP: 5.852
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 86
Number of rings: 4

     

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