COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552475
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-(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(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 728.84
Empirical Formula: C41H48N2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.648
Rotatable bonds: 9
H-donors: 3
H-acceptors: 10
PSA: 160
Number of rings: 5

     

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