COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378682
Chemical Name: 4-[(4-{(Z)-[4-(ethoxycarbonyl)-3-oxo-5-(phenylamino)thiophen-2(3H)-ylidene]methyl}phenoxy)methyl]benzoicacid
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(cc2)OCc2ccc(cc2)C(=O)O)/C1=O

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Molecular Weight: 501.56
Empirical Formula: C28H23NO6S

Physical State: Dry powder
Available Amount: 626 mg

Lipinsky:
logP: 6.097
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 127
Number of rings: 4

     

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