General Information of the Compound
| Compound ID |
CP0425880
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| Compound Name |
N-[2-(7-propan-2-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
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| Structure |
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| Formula |
C19H25NO2
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| Molecular Weight |
299.414
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| Canonical SMILES |
CCC(=O)NCCC1=C(Cc2ccc3OCCc3c12)C(C)C
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| InChI |
InChI=1S/C19H25NO2/c1-4-18(21)20-9-7-14-16(12(2)3)11-13-5-6-17-15(19(13)14)8-10-22-17/h5-6,12H,4,7-11H2,1-3H3,(H,20,21)
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| InChIKey |
HVPNOUBTPAPTDK-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