COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473601
Chemical Name: ethyl2-{[(2Z)-2-cyano-3-{3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1ccsc1NC(=O)/C(=C\c1ccc(c(c1)COc1cccc(c1Cl)Cl)OC)/C#N

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Molecular Weight: 531.42
Empirical Formula: C25H20Cl2N2O5S

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 8.089
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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