COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551851
Chemical Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-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]-3-(3,4,5-trimethoxyphenyl)propan
Smiles: CSCC[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)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 759.92
Empirical Formula: C41H49N3O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.23
Rotatable bonds: 10
H-donors: 4
H-acceptors: 9
PSA: 194
Number of rings: 5

     

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