General Information of the Compound
| Compound ID |
CP0437994
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| Compound Name |
N-[2-(7-propan-2-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C20H25NO2
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| Molecular Weight |
311.425
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| Canonical SMILES |
CC(C)C1=C(CCNC(=O)C2CC2)c2c(C1)ccc1OCCc21
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| InChI |
InChI=1S/C20H25NO2/c1-12(2)17-11-14-5-6-18-16(8-10-23-18)19(14)15(17)7-9-21-20(22)13-3-4-13/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,21,22)
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| InChIKey |
YWDAYXLSFSLOML-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