COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552533
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-hydroxy-2-(4-hydroxyphenyl)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)NCC(c1ccc(cc1)O)O

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Molecular Weight: 691.78
Empirical Formula: C38H45NO11

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.175
Rotatable bonds: 11
H-donors: 5
H-acceptors: 11
PSA: 181
Number of rings: 4

     

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