General Information of the Compound
| Compound ID |
CP0363120
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| Compound Name |
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (4'-methyl-[3,3']bipyridinyl-5-yl)-amide
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| Structure |
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| Formula |
C22H19F3N4O2
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| Molecular Weight |
428.414
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| Canonical SMILES |
COc1cc2CCN(C(=O)Nc3cncc(c3)-c3cnccc3C)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N4O2/c1-13-3-5-26-12-17(13)15-7-16(11-27-10-15)28-21(30)29-6-4-14-8-20(31-2)18(9-19(14)29)22(23,24)25/h3,5,7-12H,4,6H2,1-2H3,(H,28,30)
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| InChIKey |
CNYCTYLQOYVVNS-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