COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548278
Chemical Name: ethyl(1R,2S,3S)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-2-phenyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl

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Molecular Weight: 497.98
Empirical Formula: C29H24ClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.566
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 5

     

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