COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754091
Chemical Name: (8R,8aS)-6-amino-8-(2,3-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2[C@@H](C1)[C@@H](c1cccc(c1Cl)Cl)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 398.29
Empirical Formula: C20H17Cl2N5

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 3.949
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 3

     

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