COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK632948
Chemical Name: dimethyl(2E)-2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}but-2-enedioate
Smiles: COC(=O)/C(=C\C(=O)OC)/Nc1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 337.68
Empirical Formula: C13H11ClF3NO4

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 2.865
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 1

     

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