General Information of the Compound
| Compound ID |
CP0577601
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| Compound Name |
3-[[3-bromo-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-[(5-fluoropyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C22H25BrF4N4O2
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| Molecular Weight |
533.364
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| Canonical SMILES |
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)c(Br)c1
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| InChI |
InChI=1S/C22H25BrF4N4O2/c1-30-8-6-18(7-9-30)31(13-17-4-3-16(24)12-28-17)21(32)29-11-15-2-5-20(19(23)10-15)33-14-22(25,26)27/h2-5,10,12,18H,6-9,11,13-14H2,1H3,(H,29,32)
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| InChIKey |
METOVENWIXBOJI-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