General Information of the Compound
| Compound ID |
CP0543839
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| Compound Name |
1-N'-[3-fluoro-4-[6-(2-hydroxybutoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
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| Structure |
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| Formula |
C28H27F2N5O5
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| Molecular Weight |
551.55
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| Canonical SMILES |
CCC(O)COc1cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2c1C
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| InChI |
InChI=1S/C28H27F2N5O5/c1-3-20(36)14-39-23-13-35-24(16(23)2)25(31-15-32-35)40-22-9-8-19(12-21(22)30)34-27(38)28(10-11-28)26(37)33-18-6-4-17(29)5-7-18/h4-9,12-13,15,20,36H,3,10-11,14H2,1-2H3,(H,33,37)(H,34,38)
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| InChIKey |
WNVPFSRJHLMLAN-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