General Information of the Compound
| Compound ID |
CP0422335
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| Compound Name |
3-[1-(3,5-difluorophenyl)piperidin-4-yl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea
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| Structure |
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| Formula |
C22H32F2N4O2
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| Molecular Weight |
422.52
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| Canonical SMILES |
CC(C)C(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C22H32F2N4O2/c1-15(2)21(29)28-10-6-19(7-11-28)26(3)22(30)25-18-4-8-27(9-5-18)20-13-16(23)12-17(24)14-20/h12-15,18-19H,4-11H2,1-3H3,(H,25,30)
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| InChIKey |
XEKSPJQPZIEYHB-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