General Information of the Compound
Compound ID |
CP0421427
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Compound Name |
US10562853, Compound 63
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Structure |
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Formula |
C22H25ClF2N2O2
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Molecular Weight |
422.903
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Canonical SMILES |
Cc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
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InChI |
InChI=1S/C22H25ClF2N2O2/c1-16-3-2-4-18(13-16)29-12-9-26-15-22(25)7-10-27(11-8-22)21(28)17-5-6-20(24)19(23)14-17/h2-6,13-14,26H,7-12,15H2,1H3
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InChIKey |
JGPDBMBAXJTZAM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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