COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562005
Chemical Name: 3-(1,3-benzodioxol-5-yl)-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-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide
Smiles: O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2

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Molecular Weight: 660.81
Empirical Formula: C38H48N2O8

Available Amount: 0 mg

Lipinsky:
logP: 6.1
Rotatable bonds: 7
H-donors: 3
H-acceptors: 8
PSA: 134
Number of rings: 6

     

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