General Information of the Compound
| Compound ID |
CP0439645
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| Compound Name |
2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-7-(trifluoromethyl)-3H-isoindol-1-one
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| Structure |
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| Formula |
C24H27F3N2O3
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| Molecular Weight |
448.485
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| Canonical SMILES |
COc1ccc(cc1OCCN1CCC(C)CC1)N1Cc2cccc(c2C1=O)C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N2O3/c1-16-8-10-28(11-9-16)12-13-32-21-14-18(6-7-20(21)31-2)29-15-17-4-3-5-19(24(25,26)27)22(17)23(29)30/h3-7,14,16H,8-13,15H2,1-2H3
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| InChIKey |
APEDIPJHWNTQGP-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