COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525376
Chemical Name: (4aR,6aS,6bS,9aR)-6b-[(acetyloxy)acetyl]-4a,6a-dimethyl-2-oxo-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-5-ylacetate
Smiles: CCCC1O[C@H]2[C@](O1)(C(=O)COC(=O)C)[C@@]1(C(C2)C2CCC3=CC(=O)C=C[C@@]3(C2C(C1)OC(=O)C)C)C

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Molecular Weight: 514.62
Empirical Formula: C29H38O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.885
Rotatable bonds: 7
H-donors: 0
H-acceptors: 8
PSA: 105
Number of rings: 5

     

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