General Information of the Compound
| Compound ID |
CP0450683
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| Compound Name |
1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C22H31N3O2
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| Molecular Weight |
369.509
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(CC1)C#N
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| InChI |
InChI=1S/C22H31N3O2/c1-18-4-2-11-25(18)12-3-15-27-21-7-5-20(6-8-21)22(26)17-24-13-9-19(16-23)10-14-24/h5-8,18-19H,2-4,9-15,17H2,1H3/t18-/m1/s1
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| InChIKey |
HAUALKSCXFKSJA-GOSISDBHSA-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