General Information of the Compound
| Compound ID |
CP0387957
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| Compound Name |
(3,3-difluoropiperidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C22H29F2N3O2
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| Molecular Weight |
405.489
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| Canonical SMILES |
CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCCC(F)(F)C1
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| InChI |
InChI=1S/C22H29F2N3O2/c1-15(2)26-10-6-17(7-11-26)29-18-4-5-19-16(12-18)13-20(25-19)21(28)27-9-3-8-22(23,24)14-27/h4-5,12-13,15,17,25H,3,6-11,14H2,1-2H3
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| InChIKey |
TYHLMFODAUOGBW-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor