COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526271
Chemical Name: ethyl6-amino-8-(3-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2C(C1)C(c1cccc(c1)Br)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 452.31
Empirical Formula: C21H18BrN5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.391
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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