COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054434
Chemical Name: (8S,8aR,11aS)-N-(5-chloro-2-methoxyphenyl)-10-(4-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])Cl

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Molecular Weight: 544.95
Empirical Formula: C28H21ClN4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.896
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 124
Number of rings: 6

     

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