General Information of the Compound
| Compound ID |
CP0338298
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| Compound Name |
N-[4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]phenyl]acetamide
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| Structure |
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| Formula |
C28H32N4O2
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| Molecular Weight |
456.59
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| Canonical SMILES |
CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
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| InChI |
InChI=1S/C28H32N4O2/c1-20(33)29-23-9-7-21(8-10-23)11-14-32-15-12-22(13-16-32)19-34-28-26-18-31(2)17-25(26)24-5-3-4-6-27(24)30-28/h3-10,17-18,22H,11-16,19H2,1-2H3,(H,29,33)
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| InChIKey |
YJAIZWWQRYKSON-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01307, 5-hydroxytryptamine receptor 4