General Information of the Compound
| Compound ID |
CP0448031
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| Compound Name |
US10562853, Compound 10
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| Structure |
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| Formula |
C22H25ClF2N2O3
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| Molecular Weight |
438.902
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| Canonical SMILES |
COc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)cc1
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| InChI |
InChI=1S/C22H25ClF2N2O3/c1-29-17-3-5-18(6-4-17)30-13-10-26-15-22(25)8-11-27(12-9-22)21(28)16-2-7-20(24)19(23)14-16/h2-7,14,26H,8-13,15H2,1H3
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| InChIKey |
RPMCBOIGGLBGEL-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