General Information of the Compound
| Compound ID |
CP0546972
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| Compound Name |
1-[(5-fluoropyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
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| Structure |
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| Formula |
C24H33FN4O2
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| Molecular Weight |
428.552
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C24H33FN4O2/c1-18(2)17-31-23-8-4-19(5-9-23)14-27-24(30)29(22-10-12-28(3)13-11-22)16-21-7-6-20(25)15-26-21/h4-9,15,18,22H,10-14,16-17H2,1-3H3,(H,27,30)
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| InChIKey |
MLLAVJGUUBZDGD-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