General Information of the Compound
| Compound ID |
CP0418790
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| Compound Name |
N-[2-(10-methoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethyl]butanamide
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| Structure |
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| Formula |
C23H26N2O2
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| Molecular Weight |
362.473
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| Canonical SMILES |
CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12
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| InChI |
InChI=1S/C23H26N2O2/c1-3-6-22(26)24-13-11-19-20-15-17(27-2)9-10-21(20)25-14-12-16-7-4-5-8-18(16)23(19)25/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,26)
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| InChIKey |
QCRRNTLOOBOZSX-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