COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK668773
Chemical Name: (1S,2S,3aR)-2-(3,4-dimethoxyphenyl)-1-[(4-methylphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: COc1ccc(cc1OC)[C@@H]1[C@@H](C(=O)c2ccc(cc2)C)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1

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Molecular Weight: 475.55
Empirical Formula: C30H25N3O3

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 4.608
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 86
Number of rings: 5

     

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