General Information of the Compound
| Compound ID |
CP0279990
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| Compound Name |
N-[5-(2,6-difluorophenyl)pyridin-3-yl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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| Structure |
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| Formula |
C22H16F5N3O2
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| Molecular Weight |
449.379
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| Canonical SMILES |
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3c(F)cccc3F)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C22H16F5N3O2/c1-32-19-8-12-5-6-30(18(12)9-15(19)22(25,26)27)21(31)29-14-7-13(10-28-11-14)20-16(23)3-2-4-17(20)24/h2-4,7-11H,5-6H2,1H3,(H,29,31)
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| InChIKey |
NIHPOZNNOSDBPX-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