General Information of the Compound
| Compound ID |
CP0845127
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| Compound Name |
4-(2,4-difluorobenzoyl)-1-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)piperazin-2-one
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| Structure |
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| Formula |
C24H27F2N3O3
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| Molecular Weight |
443.494
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| Canonical SMILES |
O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1
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| InChI |
InChI=1S/C24H27F2N3O3/c25-18-4-9-21(22(26)16-18)24(31)28-13-14-29(23(30)17-28)19-5-7-20(8-6-19)32-15-3-12-27-10-1-2-11-27/h4-9,16H,1-3,10-15,17H2
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| InChIKey |
DYKCULOUGOBIOM-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2