COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057060
Chemical Name: (8S,8aR,11aS)-N-(2-chloro-5-nitrophenyl)-10-cyclohexyl-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)C1CCCCC1)Nc1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 520.97
Empirical Formula: C27H25ClN4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.215
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 6

     

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