COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472865
Chemical Name: methyl2-{[(2Z)-3-{3-[(2-chloro-4-fluorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
Smiles: CCCc1cc(c(s1)NC(=O)/C(=C\c1cccc(c1)OCc1ccc(cc1Cl)F)/C#N)C(=O)OC

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Molecular Weight: 512.99
Empirical Formula: C26H22ClFN2O4S

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 8.154
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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