COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552597
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-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}ethyl)-3-(4-methoxyp
Smiles: COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCSCc1nc2cc(OC)c(cc2c(=O)[nH]1)OC

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Molecular Weight: 773.9
Empirical Formula: C41H47N3O10S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 5.293
Rotatable bonds: 12
H-donors: 4
H-acceptors: 10
PSA: 207
Number of rings: 5

     

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