COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097703
Chemical Name: (4Z)-4-(aminomethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: N/C=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 312.28
Empirical Formula: C12H7F3N4OS

Physical State: Dry powder
Available Amount: 903 mg

Lipinsky:
logP: 3.756
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 99
Number of rings: 3

     

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