COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543118
Chemical Name: (4S,4aR)-2-amino-6-tert-butyl-4-(3,4-diethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CC(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(C)(C)C

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Molecular Weight: 444.58
Empirical Formula: C27H32N4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.955
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 115
Number of rings: 3

     

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