COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536540
Chemical Name: (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1[N+](=O)[O-])Cl)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 422.87
Empirical Formula: C21H19ClN6O2

Physical State: Dry powder
Available Amount: 256 mg

Lipinsky:
logP: 3.835
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 146
Number of rings: 3

     

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