COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545403
Chemical Name: (8R,8aS,11aR,11bR)-10-(1,3-benzodioxol-5-yl)-8-[(3-bromo-4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2C=Cc3c([C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3

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Molecular Weight: 573.4
Empirical Formula: C29H21BrN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.539
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 85
Number of rings: 7

     

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