General Information of the Compound
| Compound ID |
CP0496994
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| Compound Name |
N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]propanamide
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| Structure |
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| Formula |
C22H24N2O2
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| Molecular Weight |
348.446
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| Canonical SMILES |
CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)CC)c2c1
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| InChI |
InChI=1S/C22H24N2O2/c1-3-21(25)23-12-11-18-19-13-16(26-4-2)9-10-20(19)24-14-15-7-5-6-8-17(15)22(18)24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)
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| InChIKey |
WEZWICCILFMSRN-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