General Information of the Compound
| Compound ID |
CP0104985
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| Compound Name |
6-(4-(4-(2,3-dihydrobenzofuran-4-yl)piperazin-1-yl)butoxy)isoindolin-1-one
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| Structure |
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| Formula |
C24H29N3O3
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| Molecular Weight |
407.514
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| Canonical SMILES |
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4OCCc34)cc12
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| InChI |
InChI=1S/C24H29N3O3/c28-24-21-16-19(7-6-18(21)17-25-24)29-14-2-1-9-26-10-12-27(13-11-26)22-4-3-5-23-20(22)8-15-30-23/h3-7,16H,1-2,8-15,17H2,(H,25,28)
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| InChIKey |
XPWBSOPMONLBNW-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor