General Information of the Compound
| Compound ID |
CP0553494
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| Compound Name |
1-[2-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C25H25F3N4O3
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| Molecular Weight |
486.494
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| Canonical SMILES |
CC(C)N1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H25F3N4O3/c1-16(2)32-14-12-20-17(15-32)5-3-7-22(20)34-23-21(6-4-13-29-23)31-24(33)30-18-8-10-19(11-9-18)35-25(26,27)28/h3-11,13,16H,12,14-15H2,1-2H3,(H2,30,31,33)
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| InChIKey |
ZRFOBQYMFDZANF-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