General Information of the Compound
| Compound ID |
CP0374284
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| Compound Name |
N-[2-(6H-isoindolo[2,1-a]indol-11-yl)ethyl]propanamide
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| Structure |
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| Formula |
C20H20N2O
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| Molecular Weight |
304.393
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| Canonical SMILES |
CCC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12
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| InChI |
InChI=1S/C20H20N2O/c1-2-19(23)21-12-11-17-16-9-5-6-10-18(16)22-13-14-7-3-4-8-15(14)20(17)22/h3-10H,2,11-13H2,1H3,(H,21,23)
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| InChIKey |
CNNNRHUYINPODV-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