General Information of the Compound
| Compound ID |
CP0399954
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| Compound Name |
7-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3-methyl-3H-isoindol-1-one
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| Structure |
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| Formula |
C24H29ClN2O3
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| Molecular Weight |
428.96
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| Canonical SMILES |
COc1ccc(cc1OCCN1CCC(C)CC1)N1C(C)c2cccc(Cl)c2C1=O
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| InChI |
InChI=1S/C24H29ClN2O3/c1-16-9-11-26(12-10-16)13-14-30-22-15-18(7-8-21(22)29-3)27-17(2)19-5-4-6-20(25)23(19)24(27)28/h4-8,15-17H,9-14H2,1-3H3
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| InChIKey |
MPRNTKMGUHUBMV-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