COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052474
Chemical Name: (8S,8aR,11aS)-10-(1,3-benzodioxol-5-ylmethyl)-8-[(4-nitrophenyl)carbonyl]-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)Cc1ccc2c(c1)OCO2)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 523.5
Empirical Formula: C29H21N3O7

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 5.345
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 121
Number of rings: 7

     

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