COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561512
Chemical Name: 3-(1,3-benzodioxol-5-yl)-N-[(5-bromo-4H-1,2,4-triazol-3-yl)methyl]-3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]propanamide
Smiles: O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1nnc([nH]1)Br

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Molecular Weight: 669.53
Empirical Formula: C31H33BrN4O8

Available Amount: 0 mg

Lipinsky:
logP: 4.707
Rotatable bonds: 8
H-donors: 4
H-acceptors: 8
PSA: 172
Number of rings: 5

     

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