COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK555942
Chemical Name: methyl2-[(8R,8aS,11aR)-8-(2,2-dimethylpropanoyl)-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

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Molecular Weight: 458.51
Empirical Formula: C27H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.438
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 83
Number of rings: 5

     

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