General Information of the Compound
| Compound ID |
CP0452643
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| Compound Name |
2-[6-[4-(2-Diphenyl)-1-piperazinyl]-1-oxohexyl]isoindoline
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| Structure |
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| Formula |
C30H35N3O
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| Molecular Weight |
453.63
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| Canonical SMILES |
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C30H35N3O/c34-30(33-23-26-13-6-7-14-27(26)24-33)17-5-2-10-18-31-19-21-32(22-20-31)29-16-9-8-15-28(29)25-11-3-1-4-12-25/h1,3-4,6-9,11-16H,2,5,10,17-24H2
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| InChIKey |
OGAUNANMKAMDND-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: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor