COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472749
Chemical Name: methyl2-{[(2E)-2-cyano-3-{3-methoxy-2-[(2-methylbenzyl)oxy]phenyl}prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cccc(c1OCc1ccccc1C)OC)/C(=O)Nc1sccc1C(=O)OC

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Molecular Weight: 462.53
Empirical Formula: C25H22N2O5S

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 6.797
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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