General Information of the Compound
| Compound ID |
CP0215351
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| Compound Name |
3-oxo-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
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| Structure |
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| Formula |
C20H22N4O2
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| Molecular Weight |
350.422
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| Canonical SMILES |
NC(=O)c1cccc2CN(C3CCN(Cc4cccnc4)CC3)C(=O)c12
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| InChI |
InChI=1S/C20H22N4O2/c21-19(25)17-5-1-4-15-13-24(20(26)18(15)17)16-6-9-23(10-7-16)12-14-3-2-8-22-11-14/h1-5,8,11,16H,6-7,9-10,12-13H2,(H2,21,25)
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| InChIKey |
OVLKNUOJLKTKMD-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