COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542070
Chemical Name: (3aR,4S,9aR,9bS)-4-[(4-bromophenyl)carbonyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)C(=O)c1ccccc1

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Molecular Weight: 611.45
Empirical Formula: C32H23BrN2O6

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.597
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 93
Number of rings: 7

     

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