COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541445
Chemical Name: ethyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(c(c1)OCC)OCC)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 461.52
Empirical Formula: C25H27N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.419
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 3

     

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