General Information of the Compound
| Compound ID |
CP0379048
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| Compound Name |
5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (5-pyridin-3-yl-biphenyl-3-yl)-amide
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| Structure |
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| Formula |
C28H22F3N3O2
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| Molecular Weight |
489.497
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| Canonical SMILES |
COc1cc2CCN(C(=O)Nc3cc(cc(c3)-c3cccnc3)-c3ccccc3)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C28H22F3N3O2/c1-36-26-15-19-9-11-34(25(19)16-24(26)28(29,30)31)27(35)33-23-13-21(18-6-3-2-4-7-18)12-22(14-23)20-8-5-10-32-17-20/h2-8,10,12-17H,9,11H2,1H3,(H,33,35)
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| InChIKey |
AQKLFYUGEBTKMZ-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