General Information of the Compound
| Compound ID |
CP0532001
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide
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| Formula |
C23H29Cl2N3O
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| Molecular Weight |
434.411
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| Canonical SMILES |
CCCN(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1ccccc1
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| InChI |
InChI=1S/C23H29Cl2N3O/c1-2-12-28(23(29)19-8-4-3-5-9-19)14-7-13-26-15-17-27(18-16-26)21-11-6-10-20(24)22(21)25/h3-6,8-11H,2,7,12-18H2,1H3
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| InChIKey |
PMLMARMRSAEQFX-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor