COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK066826
Chemical Name: 5-[(Z)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoicacid
Smiles: CC1=C/C(=C(/c2c(Cl)ccc(c2Cl)S(=O)(=O)O)\c2cc(C)c(c(c2)C(=O)O)O)/C=C(C1=O)C(=O)O

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Molecular Weight: 539.35
Empirical Formula: C23H16Cl2O9S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.139
Rotatable bonds: 9
H-donors: 4
H-acceptors: 9
PSA: 174
Number of rings: 3

     

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