General Information of the Compound
| Compound ID |
CP0144745
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| Compound Name |
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N-(2,2-difluoroethyl)-5-methyl-1H-imidazol-2-amine
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| Structure |
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| Formula |
C21H20F2N4O3S
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| Molecular Weight |
446.479
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| Canonical SMILES |
COc1ccc2n(cc(-c3[nH]c(NCC(F)F)nc3C)c2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H20F2N4O3S/c1-13-20(26-21(25-13)24-11-19(22)23)17-12-27(18-9-8-14(30-2)10-16(17)18)31(28,29)15-6-4-3-5-7-15/h3-10,12,19H,11H2,1-2H3,(H2,24,25,26)
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| InChIKey |
WCHJUNPRKBSVFY-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor