COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538609
Chemical Name: (16E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Smiles: O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1ccc2c(c1)OCCO2

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Molecular Weight: 506.55
Empirical Formula: C29H30O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.776
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 108
Number of rings: 5

     

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