COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725045
Chemical Name: 2'-(1,3-benzodioxol-5-ylcarbonyl)-1'-(3-nitrophenyl)-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1H)-one
Smiles: O=C(C1C(c2cccc(c2)[N+](=O)[O-])C2N(C31C(=O)Nc1c3cccc1)CCC2)c1ccc2c(c1)OCO2

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Molecular Weight: 497.51
Empirical Formula: C28H23N3O6

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.356
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 7

     

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