General Information of the Compound
| Compound ID |
CP0543618
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| Compound Name |
1-[(6-fluoropyridazin-3-yl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
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| Structure |
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| Formula |
C23H32FN5O2
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| Molecular Weight |
429.54
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)nn2)C2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C23H32FN5O2/c1-17(2)16-31-21-7-4-18(5-8-21)14-25-23(30)29(20-10-12-28(3)13-11-20)15-19-6-9-22(24)27-26-19/h4-9,17,20H,10-16H2,1-3H3,(H,25,30)
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| InChIKey |
ONXQZYXVGHSNHX-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