General Information of the Compound
| Compound ID |
CP0442238
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| Compound Name |
N-[2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-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-c3ccccc3Cn2c2ccc(OCC)cc12
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| InChI |
InChI=1S/C23H26N2O2/c1-3-7-22(26)24-13-12-19-20-14-17(27-4-2)10-11-21(20)25-15-16-8-5-6-9-18(16)23(19)25/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,24,26)
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| InChIKey |
WQPZDBLTIVLBKS-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