COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK533082
Chemical Name: (1R,8aS)-4-amino-1-(3-nitrophenyl)-6,7,8,8a-tetrahydronaphthalene-2,2,3(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C2=CCCC[C@H]2[C@@H](C1(C#N)C#N)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 345.36
Empirical Formula: C19H15N5O2

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 3.204
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 143
Number of rings: 3

     

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