COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444780
Chemical Name: 1-{(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C

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Saltdata: H2O
Molecular Weight: 437.45
Empirical Formula: C19H18F3N5O2S

Physical State: Dry powder
Available Amount: 278 mg

Lipinsky:
logP: 4.271
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 120
Number of rings: 4

     

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