COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK625451
Chemical Name: methyl2-[(8R,8aR,11aS,11bS)-8-{[4-(acetyloxy)phenyl]carbonyl}-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)[C@@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)C=Cc2c1cccc2

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Molecular Weight: 536.54
Empirical Formula: C31H24N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.494
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 110
Number of rings: 6

     

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