General Information of the Compound
| Compound ID |
CP0543621
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| Compound Name |
1-[(5-fluoropyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
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| Structure |
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| Formula |
C22H26F4N4O2
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| Molecular Weight |
454.468
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| Canonical SMILES |
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H26F4N4O2/c1-29-10-8-19(9-11-29)30(14-18-5-4-17(23)13-27-18)21(31)28-12-16-2-6-20(7-3-16)32-15-22(24,25)26/h2-7,13,19H,8-12,14-15H2,1H3,(H,28,31)
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| InChIKey |
HCPZGSLTHYYAJZ-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