COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525672
Chemical Name: (2R,3R,10bS)-2-(4-chloro-3-nitrophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2ccc(c(c2)[N+](=O)[O-])Cl)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 539.03
Empirical Formula: C31H27ClN4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.221
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 8

     

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