COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538054
Chemical Name: (3R,11E)-14-[(4-bromobenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Smiles: O=C1CCC/C=C/c2cc(OCc3ccc(cc3)Br)cc(c2C(=O)O[C@@H](CCC1)C)O

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Molecular Weight: 487.39
Empirical Formula: C25H27BrO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.422
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 3

     

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