General Information of the Compound
| Compound ID |
CP0439656
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| Compound Name |
N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C21H22N2O2/c1-3-25-16-8-9-20-19(12-16)18(10-11-22-14(2)24)21-17-7-5-4-6-15(17)13-23(20)21/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)
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| InChIKey |
LSWRLJBFCSSIGO-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