General Information of the Compound
| Compound ID |
CP0357194
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| Compound Name |
3-oxo-2-propyl-1H-isoindole-4-carboxamide
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| Structure |
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| Formula |
C12H14N2O2
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| Molecular Weight |
218.256
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| Canonical SMILES |
CCCN1Cc2cccc(C(N)=O)c2C1=O
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| InChI |
InChI=1S/C12H14N2O2/c1-2-6-14-7-8-4-3-5-9(11(13)15)10(8)12(14)16/h3-5H,2,6-7H2,1H3,(H2,13,15)
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| InChIKey |
IPJVKKPTQCQECT-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