General Information of the Compound
| Compound ID |
CP0221837
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| Compound Name |
1-[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C29H33F3N4O3
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| Molecular Weight |
542.602
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| Canonical SMILES |
CC(C)(C)CN1CCC(CC1)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H33F3N4O3/c1-28(2,3)19-36-17-14-20(15-18-36)23-7-4-5-9-25(23)38-26-24(8-6-16-33-26)35-27(37)34-21-10-12-22(13-11-21)39-29(30,31)32/h4-13,16,20H,14-15,17-19H2,1-3H3,(H2,34,35,37)
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| InChIKey |
KNECEHLDOUTFJU-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