COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551808
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-(2-methyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl)ethyl]-3-(3,4,5-t
Smiles: COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCn1ccc2c(c1=O)cnc1n2nc(n1)C

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Molecular Weight: 782.85
Empirical Formula: C41H46N6O10

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 2.657
Rotatable bonds: 10
H-donors: 3
H-acceptors: 10
PSA: 204
Number of rings: 6

     

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