General Information of the Compound
| Compound ID |
CP0431719
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| Compound Name |
methyl N-[3-[2-(furan-2-carbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
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| Structure |
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| Formula |
C17H16N2O5
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| Molecular Weight |
328.324
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| Canonical SMILES |
COC(=O)Nc1ccc2occ(CCNC(=O)c3ccco3)c2c1
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| InChI |
InChI=1S/C17H16N2O5/c1-22-17(21)19-12-4-5-14-13(9-12)11(10-24-14)6-7-18-16(20)15-3-2-8-23-15/h2-5,8-10H,6-7H2,1H3,(H,18,20)(H,19,21)
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| InChIKey |
VFPAHXTUSUVJEM-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B
Protein ID: PT02130, Ribosyldihydronicotinamide dehydrogenase [quinone]