COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527463
Chemical Name: (3S,3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)decahydronaphtho[2,3-b]furan-2(3H)-onehydrochloride
Smiles: CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)C

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Saltdata: HCl
Molecular Weight: 510.6
Empirical Formula: C27H37F3N2O4

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 3.953
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 62
Number of rings: 5

     

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