COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL533052
Chemical Name: 2-(2-(((3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-2,3,3a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-3-yl)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
Smiles: N#CCC1N(CCc2c1cc(OC)c(c2)OC)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C

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Molecular Weight: 464.6
Empirical Formula: C28H36N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.29
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 71
Number of rings: 5

     

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