General Information of the Compound
| Compound ID |
CP0112788
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| Compound Name |
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (3-ethyl-5-pyridin-3-yl-phenyl)-amide
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| Structure |
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
CCc1cc(NC(=O)N2CCc3cc(OC)c(cc23)C(F)(F)F)cc(c1)-c1cccnc1
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| InChI |
InChI=1S/C24H22F3N3O2/c1-3-15-9-18(17-5-4-7-28-14-17)11-19(10-15)29-23(31)30-8-6-16-12-22(32-2)20(13-21(16)30)24(25,26)27/h4-5,7,9-14H,3,6,8H2,1-2H3,(H,29,31)
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| InChIKey |
WHIABSZOSLXOTJ-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