COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675955
Chemical Name: (1S,2S,3aR)-2-(4-chloro-3-nitrophenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(c(c2)[N+](=O)[O-])Cl)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 539.03
Empirical Formula: C31H27ClN4O3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 5.714
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 8

     

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