COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561719
Chemical Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3-benzodioxol-5-yl)-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: CC[C@@H]([C@@H](c1nc2c([nH]1)cccc2)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2)C

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Molecular Weight: 695.81
Empirical Formula: C40H45N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.233
Rotatable bonds: 8
H-donors: 4
H-acceptors: 8
PSA: 160
Number of rings: 6

     

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