General Information of the Compound
| Compound ID |
CP0100862
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| Compound Name |
2-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-butyl}-isoindole-1,3-dione
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| Structure |
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| Formula |
C22H23Cl2N3O2
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| Molecular Weight |
432.351
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl
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| InChI |
InChI=1S/C22H23Cl2N3O2/c23-18-8-5-9-19(20(18)24)26-14-12-25(13-15-26)10-3-4-11-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-9H,3-4,10-15H2
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| InChIKey |
SGVBRIHFEULKBC-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor