General Information of the Compound
| Compound ID |
CP0377050
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| Compound Name |
3-[2-[4-[3-(4-fluorophenyl)pyridin-2-yl]piperazin-1-yl]ethoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C28H30F4N4O2
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| Molecular Weight |
530.566
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| Canonical SMILES |
Fc1ccc(cc1)-c1cccnc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C28H30F4N4O2/c29-24-9-5-22(6-10-24)25-2-1-12-33-27(25)36-15-13-35(14-16-36)17-19-38-18-11-26(37)34-20-21-3-7-23(8-4-21)28(30,31)32/h1-10,12H,11,13-20H2,(H,34,37)
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| InChIKey |
AOLMBJPDPWHRDR-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor