COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529280
Chemical Name: (2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-8-[(3-methoxyphenyl)amino]-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,1
Smiles: COc1cccc(c1)NC1=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: 816.9
Empirical Formula: C44H52N2O13

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.484
Rotatable bonds: 3
H-donors: 5
H-acceptors: 13
PSA: 216
Number of rings: 6

     

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