COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK688101
Chemical Name: (4R,4aR,5S,8R)-2-amino-4-(3-methoxyphenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@@H]2C1=CC1CC[C@H]2N1C)c1cccc(c1)OC)(C#N)C#N

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Molecular Weight: 371.44
Empirical Formula: C22H21N5O

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.686
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 109
Number of rings: 4

     

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