COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207333
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-(1H-imidazol-4-yl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\NCCc1c[nH]cn1)C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 406.39
Empirical Formula: C17H13F3N6OS

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 3.993
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 114
Number of rings: 4

     

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