COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539011
Chemical Name: 6-amino-8-(2-chloro-6-fluorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2C(C1)C(c1c(F)cccc1Cl)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 395.87
Empirical Formula: C21H19ClFN5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.621
Rotatable bonds: 3
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 3

     

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