General Information of the Compound
| Compound ID |
CP0571641
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| Compound Name |
3-[[4-(4,4-difluorobutoxy)phenyl]methyl]-1-[(5-fluoropyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C24H31F3N4O2
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| Molecular Weight |
464.532
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| Canonical SMILES |
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCCCC(F)F)cc1
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| InChI |
InChI=1S/C24H31F3N4O2/c1-30-12-10-21(11-13-30)31(17-20-7-6-19(25)16-28-20)24(32)29-15-18-4-8-22(9-5-18)33-14-2-3-23(26)27/h4-9,16,21,23H,2-3,10-15,17H2,1H3,(H,29,32)
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| InChIKey |
MRGNEYRUGWIWBR-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