General Information of the Compound
| Compound ID |
CP0504426
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-[6-(2-cyclopropylethynyl)pyridin-3-yl]-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C26H19ClFN5O3
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| Molecular Weight |
503.921
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| Canonical SMILES |
Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(nc3)C#CC3CC3)c3OCCOc3c2[nH]1
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| InChI |
InChI=1S/C26H19ClFN5O3/c27-18-2-1-3-19(28)21(18)32-26-31-20-12-17(23-24(22(20)33-26)36-11-10-35-23)25(34)30-16-9-8-15(29-13-16)7-6-14-4-5-14/h1-3,8-9,12-14H,4-5,10-11H2,(H,30,34)(H2,31,32,33)
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| InChIKey |
DPVHLFQVOXYDQS-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