COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553554
Chemical Name: (8S,8aR)-6-amino-8-(3,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1cc(OC)cc(c1)OC)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 403.48
Empirical Formula: C23H25N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.126
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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