COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK999508
Chemical Name: ethyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(c3c1cccc3)OC)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 453.5
Empirical Formula: C26H23N5O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.766
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 4

     

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