General Information of the Compound
| Compound ID |
CP0427792
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| Compound Name |
(5Z)-5-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C30H38N4O5
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| Molecular Weight |
534.657
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| Canonical SMILES |
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
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| InChI |
InChI=1S/C30H38N4O5/c1-37-26-11-6-5-10-25(26)33-18-16-32(17-19-33)14-7-15-34-29(35)24(31-30(34)36)20-22-12-13-27(38-2)28(21-22)39-23-8-3-4-9-23/h5-6,10-13,20-21,23H,3-4,7-9,14-19H2,1-2H3,(H,31,36)/b24-20-
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| InChIKey |
NDCPMDXYZHOCAI-GFMRDNFCSA-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