COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL036664
Chemical Name: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate
Smiles: CC[C@@H](C(=O)O[C@H]1C[C@H](O)C=C2[C@H]1[C@@H](CC[C@H](C[C@H](CC(=O)[O-])O)O)[C@H](C=C2)C)C

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Saltdata: Na+
Molecular Weight: 423.53
Empirical Formula: C23H35O7

Physical State: Dry powder
Available Amount: 1006 mg

Lipinsky:
logP: 1.351
Rotatable bonds: 8
H-donors: 3
H-acceptors: 7
PSA: 127
Number of rings: 2

     

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