COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK912984
Chemical Name: methyl5-[(1E)-1-cyanoprop-1-en-2-yl]-2-({[2-(4-fluorophenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate
Smiles: N#C/C=C(/c1sc(c(c1C)C(=O)OC)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)F)\C

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Molecular Weight: 485.54
Empirical Formula: C27H20FN3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.119
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 120
Number of rings: 4

     

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