General Information of the Compound
| Compound ID |
CP0159501
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| Compound Name |
4-[[1-[2-[4-(methoxymethyl)phenyl]ethyl]piperidin-4-yl]methoxy]-2-methylpyrrolo[3,4-c]quinoline
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| Structure |
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| Formula |
C28H33N3O2
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| Molecular Weight |
443.591
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| Canonical SMILES |
COCc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
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| InChI |
InChI=1S/C28H33N3O2/c1-30-17-25-24-5-3-4-6-27(24)29-28(26(25)18-30)33-20-23-12-15-31(16-13-23)14-11-21-7-9-22(10-8-21)19-32-2/h3-10,17-18,23H,11-16,19-20H2,1-2H3
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| InChIKey |
MIVZTSHUBPAZML-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