COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK005597
Chemical Name: (8R,8aR)-6-amino-8-(6-chloro-1,3-benzodioxol-5-yl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1cc3OCOc3cc1Cl)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 407.86
Empirical Formula: C21H18ClN5O2

Physical State: Dry powder
Available Amount: 343 mg

Lipinsky:
logP: 3.474
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 4

     

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