COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549540
Chemical Name: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

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Molecular Weight: 445.47
Empirical Formula: C25H23N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.19
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 5

     

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