COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541677
Chemical Name: methyl(1R,2R,3S)-1-[(4-chlorophenyl)carbonyl]-3-cyano-2-[4-(dimethylamino)phenyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)N(C)C)[C@@H](N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl

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Molecular Weight: 512.01
Empirical Formula: C30H26ClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.829
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 73
Number of rings: 5

     

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