COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548010
Chemical Name: (6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-10-[(3-bromo-4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1

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Molecular Weight: 573.4
Empirical Formula: C29H21BrN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.24
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 85
Number of rings: 7

     

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