COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544238
Chemical Name: (8S,8aR)-6-amino-2-ethyl-8-(4-methoxynaphthalen-1-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1ccc(c3c1cccc3)OC)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 409.49
Empirical Formula: C25H23N5O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.03
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 109
Number of rings: 4

     

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