COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025224
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[4-(2-hydroxyethyl)piperazin-1-yl]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: OCCN1CCN(CC1)/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C

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Molecular Weight: 439.46
Empirical Formula: C19H20F3N5O2S

Physical State: Dry powder
Available Amount: 526 mg

Lipinsky:
logP: 4.856
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 100
Number of rings: 4

     

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