General Information of the Compound
| Compound ID |
CP0552858
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| Compound Name |
1-N'-[3-fluoro-4-[6-(2-hydroxyethoxy)-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 |
C26H23F2N5O5
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| Molecular Weight |
523.496
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| Canonical SMILES |
Cc1c(OCCO)cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c12
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| InChI |
InChI=1S/C26H23F2N5O5/c1-15-21(37-11-10-34)13-33-22(15)23(29-14-30-33)38-20-7-6-18(12-19(20)28)32-25(36)26(8-9-26)24(35)31-17-4-2-16(27)3-5-17/h2-7,12-14,34H,8-11H2,1H3,(H,31,35)(H,32,36)
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| InChIKey |
SMAHDHMVPLGFDF-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