General Information of the Compound
| Compound ID |
CP0524075
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| Compound Name |
2-(1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpiperidin-4-yl)acetic acid
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| Structure |
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| Formula |
C26H31NO2
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| Molecular Weight |
389.539
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| Canonical SMILES |
OC(=O)CC1CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21
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| InChI |
InChI=1S/C26H31NO2/c28-25(29)15-19-10-13-27(14-11-19)23-9-12-26(18-23)17-22-7-2-1-5-20(22)16-21-6-3-4-8-24(21)26/h1-8,19,23H,9-18H2,(H,28,29)
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| InChIKey |
XNPQDIOALLTRKK-UHFFFAOYSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor