General Information of the Compound
| Compound ID |
CP0571639
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| Compound Name |
3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-[(5-fluoropyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C24H31FN4O2
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| Molecular Weight |
426.536
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| Canonical SMILES |
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc2OC(C)(C)Cc2c1
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| InChI |
InChI=1S/C24H31FN4O2/c1-24(2)13-18-12-17(4-7-22(18)31-24)14-27-23(30)29(21-8-10-28(3)11-9-21)16-20-6-5-19(25)15-26-20/h4-7,12,15,21H,8-11,13-14,16H2,1-3H3,(H,27,30)
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| InChIKey |
NCUKHCVLPLTPSB-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: PT00897, Potassium voltage-gated channel subfamily H member 2