COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552489
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-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-3-(4-m
Smiles: COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC1N(C)CCc2c1c(OC)c1c(c2)OCO1

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Molecular Weight: 728.84
Empirical Formula: C41H48N2O10

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 6.07
Rotatable bonds: 8
H-donors: 3
H-acceptors: 10
PSA: 153
Number of rings: 6

     

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