General Information of the Compound
| Compound ID |
CP0410374
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| Compound Name |
2,2,2-trifluoro-1-[4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C22H30F3N3O3
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| Molecular Weight |
441.494
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)C(F)(F)F
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| InChI |
InChI=1S/C22H30F3N3O3/c1-17-4-2-9-27(17)10-3-15-31-19-7-5-18(6-8-19)20(29)16-26-11-13-28(14-12-26)21(30)22(23,24)25/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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| InChIKey |
NZVJHOMPLGFESX-QGZVFWFLSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor