General Information of the Compound
| Compound ID |
CP0377932
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| Compound Name |
2-methyl-5-(2-(pyridin-4-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
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| Structure |
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| Formula |
C20H21N3O2
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| Molecular Weight |
335.407
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| Canonical SMILES |
CN1CCc2c(C1)c1cc(ccc1n2CCc1ccncc1)C(O)=O
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| InChI |
InChI=1S/C20H21N3O2/c1-22-10-7-19-17(13-22)16-12-15(20(24)25)2-3-18(16)23(19)11-6-14-4-8-21-9-5-14/h2-5,8-9,12H,6-7,10-11,13H2,1H3,(H,24,25)
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| InChIKey |
HJSAIEMTRYMFMF-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01206, Histamine H1 receptor