General Information of the Compound
| Compound ID |
CP0479952
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| Compound Name |
US10562853, Compound 51
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| Structure |
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| Formula |
C22H26ClF2N3O2
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| Molecular Weight |
437.918
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| Canonical SMILES |
CNc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C22H26ClF2N3O2/c1-26-19-4-2-3-5-20(19)30-13-10-27-15-22(25)8-11-28(12-9-22)21(29)16-6-7-18(24)17(23)14-16/h2-7,14,26-27H,8-13,15H2,1H3
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| InChIKey |
GKXSCSYAOOOLAP-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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Protein ID: PT01005, D(2) dopamine receptor