COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550861
Chemical Name: methyl4-({N-[3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoyl]-beta-alanyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CCNC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O

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Molecular Weight: 524.53
Empirical Formula: C27H28N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.317
Rotatable bonds: 11
H-donors: 4
H-acceptors: 9
PSA: 160
Number of rings: 3

     

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