General Information of the Compound
| Compound ID |
CP0424507
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| Compound Name |
(5Z)-5-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C28H36N6O4
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| Molecular Weight |
520.634
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| Canonical SMILES |
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
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| InChI |
InChI=1S/C28H36N6O4/c1-37-24-10-9-21(20-25(24)38-22-7-2-3-8-22)19-23-26(35)34(28(36)31-23)14-5-4-13-32-15-17-33(18-16-32)27-29-11-6-12-30-27/h6,9-12,19-20,22H,2-5,7-8,13-18H2,1H3,(H,31,36)/b23-19-
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| InChIKey |
PCLUAGQMRPFTID-NMWGTECJSA-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