General Information of the Compound
| Compound ID |
CP0544066
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| Compound Name |
3-[[4-(2-fluoro-2-methylpropoxy)phenyl]methyl]-1-[(5-fluoropyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C24H32F2N4O2
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| Molecular Weight |
446.542
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| Canonical SMILES |
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(C)(C)F)cc1
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| InChI |
InChI=1S/C24H32F2N4O2/c1-24(2,26)17-32-22-8-4-18(5-9-22)14-28-23(31)30(21-10-12-29(3)13-11-21)16-20-7-6-19(25)15-27-20/h4-9,15,21H,10-14,16-17H2,1-3H3,(H,28,31)
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| InChIKey |
KHZQEPUBCZALHA-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