COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561795
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-(2-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}ethyl)propanamide
Smiles: O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCNC(=O)Cn1ncc(c1)[N+](=O)[O-]

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Molecular Weight: 705.72
Empirical Formula: C35H39N5O11

Available Amount: 0 mg

Lipinsky:
logP: 3.493
Rotatable bonds: 11
H-donors: 4
H-acceptors: 11
PSA: 224
Number of rings: 5

     

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