COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL409908
Chemical Name: 8-[(3-bromo-4-methoxyphenyl)carbonyl]-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(c(c2)Br)OC)C=Cc2c1cccc2)[N+](=O)[O-]

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Molecular Weight: 604.41
Empirical Formula: C29H22BrN3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.489
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 121
Number of rings: 6

     

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