COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558198
Chemical Name: (7S,9E,11S,12R,13R,14S,15S,19S,20S,21E,23Z,32R)-28-(cyclopropylamino)-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~.1~
Smiles: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C\[C@@H]([C@H]2[C@H]([C@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)OC(C)(C)O2)C)C)/C)NC1CC1

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Molecular Weight: 790.91
Empirical Formula: C43H54N2O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.455
Rotatable bonds: 3
H-donors: 3
H-acceptors: 12
PSA: 185
Number of rings: 7

     

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