COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525545
Chemical Name: methyl(2R)-2-{[(3,4-dihydroxy-6-{[(6aR,6bS,8aS,11S,14bS)-11-{[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]carbamoyl}-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,1
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)C1OC(OC2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C(=O)C=C3[C@@]2(C)CC[C@@]2(C3C[C@](C)(CC2)C(=O)N[C@H](C(=O)OC)C(C)C)C)C)C)C(C(C1O)O)OC1OC(C(=O)N[C@@H](C(=O)OC)C(C)C)C(C(C1O)O)O

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Molecular Weight: 1162.42
Empirical Formula: C60H95N3O19

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 9.602
Rotatable bonds: 20
H-donors: 8
H-acceptors: 19
PSA: 321
Number of rings: 7

     

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