General Information of the Compound
| Compound ID |
CP0228520
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| Compound Name |
2-{5-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-pentyl}-isoindole-1,3-dione
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| Structure |
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| Formula |
C23H25Cl2N3O2
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| Molecular Weight |
446.378
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)c1Cl
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| InChI |
InChI=1S/C23H25Cl2N3O2/c24-19-9-6-10-20(21(19)25)27-15-13-26(14-16-27)11-4-1-5-12-28-22(29)17-7-2-3-8-18(17)23(28)30/h2-3,6-10H,1,4-5,11-16H2
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| InChIKey |
HZMBQYFOWZCHKD-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