COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541363
Chemical Name: (8S,8aR,11aS)-10-(4-acetylphenyl)-8-(1,3-benzodioxol-5-ylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)c1ccc2c(c1)OCO2

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Molecular Weight: 506.51
Empirical Formula: C30H22N2O6

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.749
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 93
Number of rings: 7

     

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