COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056635
Chemical Name: (8S,8aR,11aS)-10-cyclohexyl-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=C1N(C2CCCCC2)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)c1ccc(cc1)[N+](=O)[O-])N1C2c2ccccc2C=C1

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Molecular Weight: 471.51
Empirical Formula: C27H25N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.766
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 6

     

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