General Information of the Compound
| Compound ID |
CP0489721
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| Compound Name |
1'-(5-nitro-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
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| Structure |
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| Formula |
C19H16N4O4
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| Molecular Weight |
364.361
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C19H16N4O4/c24-17-13-3-1-2-4-14(13)19(27-17)7-9-22(10-8-19)18-20-15-6-5-12(23(25)26)11-16(15)21-18/h1-6,11H,7-10H2,(H,20,21)
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| InChIKey |
OBVAJNQUCKHYDD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound