General Information of the Compound
| Compound ID |
CP0522154
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| Compound Name |
1-(10'-oxospiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carboxylic acid
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| Structure |
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| Formula |
C25H25NO3
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| Molecular Weight |
387.479
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| Canonical SMILES |
OC(=O)C1=CCCN(C1)C1CCC2(C1)c1ccccc1Cc1ccccc1C2=O
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| InChI |
InChI=1S/C25H25NO3/c27-23-21-9-3-1-6-17(21)14-18-7-2-4-10-22(18)25(23)12-11-20(15-25)26-13-5-8-19(16-26)24(28)29/h1-4,6-10,20H,5,11-16H2,(H,28,29)
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| InChIKey |
YHPLTCSZJDWTFK-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor