COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL460123
Chemical Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-ylN-[(4-methylphenyl)sulfonyl]-beta-alaninate
Smiles: O=C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)CCNS(=O)(=O)c1ccc(cc1)C

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Molecular Weight: 549.6
Empirical Formula: C29H27NO8S

Available Amount: 0 mg

Lipinsky:
logP: 5.174
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 125
Number of rings: 5

     

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