General Information of the Compound
| Compound ID |
CP0371912
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| Compound Name |
2-(4-(4-phenyl-1-piperazinyl)butyl)-1-isoindolinone
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| Structure |
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| Formula |
C23H29N3O2
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| Molecular Weight |
379.504
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-18-19-8-2-3-9-20(19)23(26)27/h2-5,8-11H,6-7,12-18H2,1H3
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| InChIKey |
DVYJEJMZLCRJNO-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: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor