COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558126
Chemical Name: ethyl4-[(7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-13-(acetyloxy)-2-hydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1~4,7~.
Smiles: CCOC(=O)N1CCN(CC1)C1=C2NC(=O)/C(=C\C=C\[C@H](C)[C@@H]3OC(C)(C)O[C@H]([C@@H]3C)[C@@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]3(C(=O)c4c(C1=O)c(C2=O)c(O)c(c4O3)C)C)OC)C)OC(=O)C)C)/C

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Molecular Weight: 892.01
Empirical Formula: C47H61N3O14

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.855
Rotatable bonds: 4
H-donors: 2
H-acceptors: 14
PSA: 205
Number of rings: 7

     

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