COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551880
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-(1H-imidazol-4-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
Smiles: COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCc1c[nH]cn1

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Molecular Weight: 649.74
Empirical Formula: C35H43N3O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.459
Rotatable bonds: 10
H-donors: 4
H-acceptors: 9
PSA: 169
Number of rings: 4

     

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