COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529149
Chemical Name: (2E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

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Saltdata: 0,15 DMFA
Molecular Weight: 416.38
Empirical Formula: C19H11F3N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.234
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 122
Number of rings: 3

     

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