General Information of the Compound
| Compound ID |
CP0392871
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| Compound Name |
1-N'-[4-(6-butoxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
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| Structure |
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| Formula |
C28H27F2N5O4
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| Molecular Weight |
535.551
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| Canonical SMILES |
CCCCOc1cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2c1C
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| InChI |
InChI=1S/C28H27F2N5O4/c1-3-4-13-38-23-15-35-24(17(23)2)25(31-16-32-35)39-22-10-9-20(14-21(22)30)34-27(37)28(11-12-28)26(36)33-19-7-5-18(29)6-8-19/h5-10,14-16H,3-4,11-13H2,1-2H3,(H,33,36)(H,34,37)
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| InChIKey |
KEVSVYGVTIFRSN-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