General Information of the Compound
| Compound ID |
CP0261521
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| Compound Name |
1-[2-[(2-methyl-1,3-dihydroisoindol-4-yl)oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C22H19F3N4O3
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| Molecular Weight |
444.413
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| Canonical SMILES |
CN1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1
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| InChI |
InChI=1S/C22H19F3N4O3/c1-29-12-14-4-2-6-19(17(14)13-29)31-20-18(5-3-11-26-20)28-21(30)27-15-7-9-16(10-8-15)32-22(23,24)25/h2-11H,12-13H2,1H3,(H2,27,28,30)
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| InChIKey |
ADXUNEPQWWLDEC-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