COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552052
Chemical Name: 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]-N-(2-{[(4-methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)-3-(3,4,5-trimethoxyphenyl)propanam
Smiles: COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCSCc1[nH]cnc1C

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Molecular Weight: 709.86
Empirical Formula: C37H47N3O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.905
Rotatable bonds: 12
H-donors: 4
H-acceptors: 9
PSA: 194
Number of rings: 4

     

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