COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK524310
Chemical Name: (1S,2S,3aR)-1-(phenylcarbonyl)-2-(thiophen-2-yl)-1,2-dihydrobenzo[h]pyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2cccs2)[C@H](N2[C@@H]1C=Cc1c2c2ccccc2cc1)C(=O)c1ccccc1

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Molecular Weight: 457.56
Empirical Formula: C29H19N3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.319
Rotatable bonds: 0
H-donors: 0
H-acceptors: 1
PSA: 96
Number of rings: 6

     

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