General Information of the Compound
| Compound ID |
CP0416089
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| Compound Name |
1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C22H31F3N2O2
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| Molecular Weight |
412.496
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C(F)(F)F
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| InChI |
InChI=1S/C22H31F3N2O2/c1-17-4-2-11-27(17)12-3-15-29-20-7-5-18(6-8-20)21(28)16-26-13-9-19(10-14-26)22(23,24)25/h5-8,17,19H,2-4,9-16H2,1H3/t17-/m1/s1
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| InChIKey |
GTIUYPCJWSWTAF-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