COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK669723
Chemical Name: (8S,8aS)-6-amino-8-(2-iodophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@@H](C1)[C@H](c1ccccc1I)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 469.33
Empirical Formula: C21H20IN5

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 4.447
Rotatable bonds: 2
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 3

     

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