COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK069741
Chemical Name: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxy-3-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCCOc1cc(ccc1OC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1

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Molecular Weight: 523.59
Empirical Formula: C30H29N5O4

Physical State: Dry powder
Available Amount: 449 mg

Lipinsky:
logP: 4.73
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 4

     

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