General Information of the Compound
Compound ID |
CP0380634
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Compound Name |
N-[5-chloro-6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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Structure |
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Formula |
C22H18ClF3N4O2
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Molecular Weight |
462.859
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Canonical SMILES |
Cc1cc2CCN(C(=O)Nc3cnc(Oc4cccnc4C)c(Cl)c3)c2cc1C(F)(F)F
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InChI |
InChI=1S/C22H18ClF3N4O2/c1-12-8-14-5-7-30(18(14)10-16(12)22(24,25)26)21(31)29-15-9-17(23)20(28-11-15)32-19-4-3-6-27-13(19)2/h3-4,6,8-11H,5,7H2,1-2H3,(H,29,31)
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InChIKey |
PMSCCWYCOFSMQM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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