COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041159
Chemical Name: methyl2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)-4,5-dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1N/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C)OC

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Molecular Weight: 520.49
Empirical Formula: C23H19F3N4O5S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 7.421
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 4

     

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