COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK760361
Chemical Name: 2-amino-4-(2,4,6-trimethyl-3-nitrophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCCC2)c1c(C)cc(c(c1C)[N+](=O)[O-])C)(C#N)C#N

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Molecular Weight: 387.44
Empirical Formula: C22H21N5O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.545
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 143
Number of rings: 3

     

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