General Information of the Compound
| Compound ID |
CP0420806
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| Compound Name |
(5Z)-3-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C26H30Cl2N4O4
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| Molecular Weight |
533.456
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| Canonical SMILES |
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
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| InChI |
InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-
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| InChIKey |
FAKQRORSGPDDIF-SILNSSARSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000015 | SW480 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 255470 nM
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| CL000150 | HaCaT | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 296440 nM
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