General Information of the Compound
| Compound ID |
CP0221839
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| Compound Name |
1-[2-[(3-tert-butyl-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 |
C26H27F3N4O3
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| Molecular Weight |
500.521
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| Canonical SMILES |
CN1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1C(C)(C)C
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| InChI |
InChI=1S/C26H27F3N4O3/c1-25(2,3)22-21-16(15-33(22)4)7-5-9-20(21)35-23-19(8-6-14-30-23)32-24(34)31-17-10-12-18(13-11-17)36-26(27,28)29/h5-14,22H,15H2,1-4H3,(H2,31,32,34)
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| InChIKey |
GHKPMDDCMGRGGC-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