COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526609
Chemical Name: ethyl3-[(4aR,6aS,6bS,7aR)-2-(acetyloxy)-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-b]oxiren-6b-yl]-3-hydroxybutanoate(non-preferredname)
Smiles: CCOC(=O)CC([C@@]12O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)(O)C

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Molecular Weight: 460.61
Empirical Formula: C27H40O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.777
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 85
Number of rings: 5

     

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