COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545757
Chemical Name: (8S,8aR,11aS,11bS)-8-[(4-bromophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1NC(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccc(cc1)Br)N1[C@@H]2c2ccccc2C=C1

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Molecular Weight: 423.27
Empirical Formula: C21H15BrN2O3

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.482
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 66
Number of rings: 5

     

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