General Information of the Compound
| Compound ID |
CP0446033
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-[4-(2-cyclopropylethynyl)-3-fluorophenyl]-1-methyl-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C28H21ClF2N4O3
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| Molecular Weight |
534.95
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| Canonical SMILES |
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(C#CC4CC4)c(F)c3)c3OCCOc3c12
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| InChI |
InChI=1S/C28H21ClF2N4O3/c1-35-24-22(33-28(35)34-23-19(29)3-2-4-20(23)30)14-18(25-26(24)38-12-11-37-25)27(36)32-17-10-9-16(21(31)13-17)8-7-15-5-6-15/h2-4,9-10,13-15H,5-6,11-12H2,1H3,(H,32,36)(H,33,34)
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| InChIKey |
NDHWTYVEETWKDT-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