COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552289
Chemical Name: N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-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]-3-(4-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 668.79
Empirical Formula: C39H44N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.124
Rotatable bonds: 7
H-donors: 3
H-acceptors: 8
PSA: 142
Number of rings: 5

     

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