General Information of the Compound
| Compound ID |
CP0525361
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| Compound Name |
N-[(6-fluoropyridin-3-yl)methyl]-3-[2-[4-[3-(2-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]propanamide
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| Structure |
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| Formula |
C28H33FN4O3
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| Molecular Weight |
492.595
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| Canonical SMILES |
COc1ccccc1-c1cccc(c1)N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
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| InChI |
InChI=1S/C28H33FN4O3/c1-35-26-8-3-2-7-25(26)23-5-4-6-24(19-23)33-14-12-32(13-15-33)16-18-36-17-11-28(34)31-21-22-9-10-27(29)30-20-22/h2-10,19-20H,11-18,21H2,1H3,(H,31,34)
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| InChIKey |
BJVXUJCYUYVLDD-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