General Information of the Compound
| Compound ID |
CP0427779
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| Compound Name |
5,7-dichloro-2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3H-isoindol-1-one
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| Structure |
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| Formula |
C21H22Cl2N2O4
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| Molecular Weight |
437.323
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| Canonical SMILES |
COc1ccc(cc1OCCN1CCOCC1)N1Cc2cc(Cl)cc(Cl)c2C1=O
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| InChI |
InChI=1S/C21H22Cl2N2O4/c1-27-18-3-2-16(12-19(18)29-9-6-24-4-7-28-8-5-24)25-13-14-10-15(22)11-17(23)20(14)21(25)26/h2-3,10-12H,4-9,13H2,1H3
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| InChIKey |
IMWLRARKGKMHRF-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C