General Information of the Compound
| Compound ID |
CP0420922
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| Compound Name |
(5Z)-5-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C29H34Cl2N4O4
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| Molecular Weight |
573.521
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| Canonical SMILES |
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
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| InChI |
InChI=1S/C29H34Cl2N4O4/c1-38-25-11-10-20(19-26(25)39-21-6-2-3-7-21)18-23-28(36)35(29(37)32-23)13-5-12-33-14-16-34(17-15-33)24-9-4-8-22(30)27(24)31/h4,8-11,18-19,21H,2-3,5-7,12-17H2,1H3,(H,32,37)/b23-18-
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| InChIKey |
UBFFPTOHRJBROW-NKFKGCMQSA-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