General Information of the Compound
| Compound ID |
CP0424643
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| Compound Name |
US10562853, Compound 9
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| Structure |
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| Formula |
C22H25Cl2FN2O3
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| Molecular Weight |
455.357
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| Canonical SMILES |
COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
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| InChI |
InChI=1S/C22H25Cl2FN2O3/c1-29-17-3-2-4-18(14-17)30-12-9-26-15-22(25)7-10-27(11-8-22)21(28)16-5-6-19(23)20(24)13-16/h2-6,13-14,26H,7-12,15H2,1H3
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| InChIKey |
NHWLXSUOSUTBMY-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