COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673078
Chemical Name: (8R,8aS)-6-amino-7,7-dicyano-2-methyl-8-(4-nitrophenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylicacid
Smiles: N#CC1(C#N)[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H]2CN(C)CC=C2C(=C1N)C(=O)O

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Molecular Weight: 379.38
Empirical Formula: C19H17N5O4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 2.173
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 159
Number of rings: 3

     

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