COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546706
Chemical Name: methyl(1R,2S,3S)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-2-(4-methoxyphenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)Nc2ccc(cc2)Cl)N2C([C@]1(C#N)C(=O)OC)c1ccccc1C=C2

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Molecular Weight: 513.98
Empirical Formula: C29H24ClN3O4

Physical State: Dry powder
Available Amount: 277 mg

Lipinsky:
logP: 6.95
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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