General Information of the Compound
| Compound ID |
CP0574469
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| Compound Name |
1-[(5-fluoropyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropyl)phenyl]methyl]urea
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| Structure |
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| Formula |
C24H33FN4O
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| Molecular Weight |
412.553
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| Canonical SMILES |
CC(C)Cc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C24H33FN4O/c1-18(2)14-19-4-6-20(7-5-19)15-27-24(30)29(23-10-12-28(3)13-11-23)17-22-9-8-21(25)16-26-22/h4-9,16,18,23H,10-15,17H2,1-3H3,(H,27,30)
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| InChIKey |
PHPKNVRHTKXVSV-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