General Information of the Compound
| Compound ID |
CP0398566
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| Compound Name |
methyl N-[3-[2-(but-3-enoylamino)ethyl]-1-benzofuran-5-yl]carbamate
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| Structure |
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| Formula |
C16H18N2O4
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| Molecular Weight |
302.33
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| Canonical SMILES |
COC(=O)Nc1ccc2occ(CCNC(=O)CC=C)c2c1
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| InChI |
InChI=1S/C16H18N2O4/c1-3-4-15(19)17-8-7-11-10-22-14-6-5-12(9-13(11)14)18-16(20)21-2/h3,5-6,9-10H,1,4,7-8H2,2H3,(H,17,19)(H,18,20)
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| InChIKey |
UOEGGYOPOMYPQQ-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]