General Information of the Compound
| Compound ID |
CP0466368
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| Compound Name |
1-N'-[3-fluoro-4-[6-[(2Z)-2-hydroxyiminopropoxy]-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 |
C27H24F2N6O5
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| Molecular Weight |
550.522
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| Canonical SMILES |
C\C(COc1cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2c1C)=N\O
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| InChI |
InChI=1S/C27H24F2N6O5/c1-15(34-38)13-39-22-12-35-23(16(22)2)24(30-14-31-35)40-21-8-7-19(11-20(21)29)33-26(37)27(9-10-27)25(36)32-18-5-3-17(28)4-6-18/h3-8,11-12,14,38H,9-10,13H2,1-2H3,(H,32,36)(H,33,37)/b34-15-
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| InChIKey |
JKKUYXFQCBSNJD-PMNVOCJDSA-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