COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK997305
Chemical Name: ethyl6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2C(C1)C(c1cc(OC)cc(c1)OC)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 433.47
Empirical Formula: C23H23N5O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.331
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 3

     

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