General Information of the Compound
| Compound ID |
CP0438711
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| Compound Name |
(5Z)-5-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-3-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C30H36Cl2N4O4
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| Molecular Weight |
587.548
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| Canonical SMILES |
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
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| InChI |
InChI=1S/C30H36Cl2N4O4/c1-39-26-12-11-21(20-27(26)40-22-7-2-3-8-22)19-24-29(37)36(30(38)33-24)14-5-4-13-34-15-17-35(18-16-34)25-10-6-9-23(31)28(25)32/h6,9-12,19-20,22H,2-5,7-8,13-18H2,1H3,(H,33,38)/b24-19-
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| InChIKey |
JRGUQARZOWLZRD-CLCOLTQESA-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