COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076738
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)N/C=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 526.93
Empirical Formula: C25H14ClF3N4O2S

Physical State: Dry powder
Available Amount: 906 mg

Lipinsky:
logP: 8.798
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 102
Number of rings: 5

     

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