COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL564453
Chemical Name: (1S,6aR,7aS,9aR,10R,12R,13S,14aR,15aS)-13-(2-hydroxypropan-2-yl)-3,3,9a,10,15a-pentamethyloctadecahydro-1H-12,14a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepine-1,4-diol
Smiles: O[C@H]1CC2C(C)(C)C(O)CC[C@@]32[C@]2(C1[C@]1(C)C[C@@]45C([C@@]1(C)CC2)[C@H](C)C[C@@H](O4)C(O5)C(O)(C)C)C3

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Molecular Weight: 488.71
Empirical Formula: C30H48O5

Physical State: Liquid
Available Amount: 291 mg

Lipinsky:
logP: 4.476
Rotatable bonds: 3
H-donors: 3
H-acceptors: 5
PSA: 79
Number of rings: 7

     

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