COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552964
Chemical Name: (3S,3aR,8aR,9aR)-3-(((2-(4-(4-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-onehydrochloride
Smiles: COc1ccc(cc1)C1(CCNCC2C(=O)O[C@H]3[C@@H]2CC2=C(C)CCC[C@@]2(C3)C)CCOC(C1)(C)C

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Saltdata: HCl
Molecular Weight: 495.7
Empirical Formula: C31H45NO4

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 5.866
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 5

     

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