COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372286
Chemical Name: (2E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-{2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethoxy}phenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(cc1)OCC(=O)NCC1CCCO1)/C(=O)NCCc1ccc(c(c1)OC)OC

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Molecular Weight: 493.56
Empirical Formula: C27H31N3O6

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 1.741
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 118
Number of rings: 3

     

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