COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472606
Chemical Name: methyl2-{[(2E)-3-{5-chloro-2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cc(Cl)ccc1OCc1c(F)cccc1Cl)/C(=O)Nc1sc(cc1C(=O)OC)C(C)C

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Molecular Weight: 547.43
Empirical Formula: C26H21Cl2FN2O4S

Physical State: Dry powder
Available Amount: 211 mg

Lipinsky:
logP: 8.696
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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