COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558129
Chemical Name: (2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(propylamino)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimi
Smiles: CCCNC1=C2NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[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: 752.86
Empirical Formula: C40H52N2O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.941
Rotatable bonds: 4
H-donors: 5
H-acceptors: 12
PSA: 207
Number of rings: 5

     

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