General Information of the Compound
| Compound ID |
CP0548970
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| Compound Name |
N-[2-(6-hexoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide
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| Structure |
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| Formula |
C19H29NO3
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| Molecular Weight |
319.445
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| Canonical SMILES |
CCCCCCOc1ccc2OCCC(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C19H29NO3/c1-3-4-5-6-12-22-17-7-8-19-18(14-17)16(10-13-23-19)9-11-20-15(2)21/h7-8,14,16H,3-6,9-13H2,1-2H3,(H,20,21)
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| InChIKey |
BXWHWWURZHTYJL-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