COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550338
Chemical Name: N-{[3-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-4-methoxyphenyl]carbonyl}-beta-alanine
Smiles: COc1ccc(cc1N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)C(=O)NCCC(=O)O

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Molecular Weight: 564.55
Empirical Formula: C29H28N2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.082
Rotatable bonds: 9
H-donors: 5
H-acceptors: 10
PSA: 188
Number of rings: 4

     

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