General Information of the Compound
| Compound ID |
CP0377490
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-(4,4-dimethylcyclohexyl)-1-methyl-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C25H28ClFN4O3
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| Molecular Weight |
486.975
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| Canonical SMILES |
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)NC3CCC(C)(C)CC3)c3OCCOc3c12
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| InChI |
InChI=1S/C25H28ClFN4O3/c1-25(2)9-7-14(8-10-25)28-23(32)15-13-18-20(22-21(15)33-11-12-34-22)31(3)24(29-18)30-19-16(26)5-4-6-17(19)27/h4-6,13-14H,7-12H2,1-3H3,(H,28,32)(H,29,30)
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| InChIKey |
CMOJPQJGFYIAEH-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