General Information of the Compound
| Compound ID |
CP0543840
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| Compound Name |
1-N'-[3-fluoro-4-[6-(3-hydroxypropoxy)-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 |
C27H25F2N5O5
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| Molecular Weight |
537.523
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| Canonical SMILES |
Cc1c(OCCCO)cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c12
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| InChI |
InChI=1S/C27H25F2N5O5/c1-16-22(38-12-2-11-35)14-34-23(16)24(30-15-31-34)39-21-8-7-19(13-20(21)29)33-26(37)27(9-10-27)25(36)32-18-5-3-17(28)4-6-18/h3-8,13-15,35H,2,9-12H2,1H3,(H,32,36)(H,33,37)
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| InChIKey |
ATDGFMRMQVJESN-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