COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557509
Chemical Name: (8S,8aR,11aS,11bS)-10-(1,3-benzodioxol-5-yl)-9,11-dioxo-N-phenyl-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]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3)Nc1ccccc1

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Molecular Weight: 479.49
Empirical Formula: C28H21N3O5

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 4.316
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 7

     

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