General Information of the Compound
| Compound ID |
CP0257925
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| Compound Name |
3-oxo-2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
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| Structure |
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| Formula |
C19H21N3O2S
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| Molecular Weight |
355.463
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| Canonical SMILES |
NC(=O)c1cccc2CN(C3CCN(Cc4ccsc4)CC3)C(=O)c12
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| InChI |
InChI=1S/C19H21N3O2S/c20-18(23)16-3-1-2-14-11-22(19(24)17(14)16)15-4-7-21(8-5-15)10-13-6-9-25-12-13/h1-3,6,9,12,15H,4-5,7-8,10-11H2,(H2,20,23)
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| InChIKey |
RBNSMVGFGNNHLH-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