General Information of the Compound
| Compound ID |
CP0473219
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| Compound Name |
3-[2-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]ethoxy]-N-[(6-fluoropyridin-3-yl)methyl]propanamide
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| Structure |
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| Formula |
C27H30F2N4O2
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| Molecular Weight |
480.559
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
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| InChI |
InChI=1S/C27H30F2N4O2/c28-23-8-6-22(7-9-23)24-3-1-2-4-25(24)33-14-12-32(13-15-33)16-18-35-17-11-27(34)31-20-21-5-10-26(29)30-19-21/h1-10,19H,11-18,20H2,(H,31,34)
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| InChIKey |
XTFPQDSGHLRSPK-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: PT00941, 5-hydroxytryptamine receptor 7