COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL335232
Chemical Name: ethyl6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2C(C1)C(c1ccc(c(c1)OC)OCc1ccccc1)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 509.56
Empirical Formula: C29H27N5O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.012
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 4

     

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