COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374828
Chemical Name: {4-[(Z)-{5-[(4-chlorophenyl)amino]-4-(ethoxycarbonyl)-3-oxothiophen-2(3H)-ylidene}methyl]phenoxy}aceticacid
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C\c2ccc(cc2)OCC(=O)O)/C1=O

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Molecular Weight: 459.91
Empirical Formula: C22H18ClNO6S

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 4.963
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 127
Number of rings: 3

     

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