General Information of the Compound
| Compound ID |
CP0458060
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| Compound Name |
(5Z)-5-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C27H34N6O4
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| Molecular Weight |
506.607
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| Canonical SMILES |
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
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| InChI |
InChI=1S/C27H34N6O4/c1-36-23-9-8-20(19-24(23)37-21-6-2-3-7-21)18-22-25(34)33(27(35)30-22)13-5-12-31-14-16-32(17-15-31)26-28-10-4-11-29-26/h4,8-11,18-19,21H,2-3,5-7,12-17H2,1H3,(H,30,35)/b22-18-
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| InChIKey |
PWLAIAZTOQLLDA-PYCFMQQDSA-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