COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558426
Chemical Name: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(2-methyl-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C1N(C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2)c1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 460.49
Empirical Formula: C25H24N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.652
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 115
Number of rings: 5

     

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