General Information of the Compound
| Compound ID |
CP0120371
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| Compound Name |
2-[1-(oxan-4-yl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
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| Structure |
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| Formula |
C19H25N3O3
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| Molecular Weight |
343.427
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| Canonical SMILES |
NC(=O)c1cccc2CN(C3CCN(CC3)C3CCOCC3)C(=O)c12
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| InChI |
InChI=1S/C19H25N3O3/c20-18(23)16-3-1-2-13-12-22(19(24)17(13)16)15-4-8-21(9-5-15)14-6-10-25-11-7-14/h1-3,14-15H,4-12H2,(H2,20,23)
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| InChIKey |
JDUWWYRZYIZTIV-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