COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552563
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-{1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylethyl}-3-(3,4,5-trimethoxyphenyl)pro
Smiles: COCc1[nH]nc(n1)C(Cc1ccccc1)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

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Molecular Weight: 770.88
Empirical Formula: C42H50N4O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.211
Rotatable bonds: 12
H-donors: 4
H-acceptors: 10
PSA: 191
Number of rings: 5

     

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