General Information of the Compound
| Compound ID |
CP0420807
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| Compound Name |
(5Z)-5-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
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| Structure |
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| Formula |
C31H40N4O5
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| Molecular Weight |
548.684
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| Canonical SMILES |
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
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| InChI |
InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-
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| InChIKey |
XRNYMDLTXKVPLN-DAFNUICNSA-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