COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547572
Chemical Name: (3aR,4S,9aR,9bS)-4-[(3-bromo-4-methoxyphenyl)carbonyl]-2-(2-methoxy-5-nitrophenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=C(C=C1)C(=O)c1ccccc1)C(=O)c1ccc(c(c1)Br)OC)[N+](=O)[O-]

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Molecular Weight: 658.46
Empirical Formula: C32H24BrN3O8

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.764
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 139
Number of rings: 6

     

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