COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526695
Chemical Name: trifluoromethyl(8S,8aR)-6-amino-8-(3-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(F)(F)F)c1cccc(c1)Cl)(C#N)C#N

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Molecular Weight: 447.8
Empirical Formula: C20H13ClF3N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.207
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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