General Information of the Compound
| Compound ID |
CP0451763
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-[4-(2-cyclopropylethynyl)-3-fluorophenyl]-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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| Synonyms |
PMID28627961-Compound-31
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| Structure |
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| Formula |
C27H19ClF2N4O3
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| Molecular Weight |
520.923
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| Canonical SMILES |
Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(C#CC4CC4)c(F)c3)c3OCCOc3c2[nH]1
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| InChI |
InChI=1S/C27H19ClF2N4O3/c28-18-2-1-3-19(29)22(18)33-27-32-21-13-17(24-25(23(21)34-27)37-11-10-36-24)26(35)31-16-9-8-15(20(30)12-16)7-6-14-4-5-14/h1-3,8-9,12-14H,4-5,10-11H2,(H,31,35)(H2,32,33,34)
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| InChIKey |
CSOLVYOAIFCMHY-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
Clinical Information about the Compound