General Information of the Compound
| Compound ID |
CP0373334
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| Compound Name |
N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-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 |
COc1ccc2n3CCc4ccccc4-c3c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C21H22N2O2/c1-14(24)22-11-9-18-19-13-16(25-2)7-8-20(19)23-12-10-15-5-3-4-6-17(15)21(18)23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
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| InChIKey |
YJUIMSHUKZPSNN-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