COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538732
Chemical Name: ethyl(8S)-6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2C(C1)[C@@H](c1ccc(cc1)CC)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 401.47
Empirical Formula: C23H23N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.611
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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