COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552308
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-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
Smiles: OCC(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)Cc1ccccc1

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Molecular Weight: 689.8
Empirical Formula: C39H47NO10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.224
Rotatable bonds: 8
H-donors: 4
H-acceptors: 10
PSA: 160
Number of rings: 4

     

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