General Information of the Compound
| Compound ID |
CP0398667
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-(4,4-dimethylcyclohexyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C24H26ClFN4O3
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| Molecular Weight |
472.948
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| Canonical SMILES |
CC1(C)CCC(CC1)NC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2OCCOc12
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| InChI |
InChI=1S/C24H26ClFN4O3/c1-24(2)8-6-13(7-9-24)27-22(31)14-12-17-19(21-20(14)32-10-11-33-21)30-23(28-17)29-18-15(25)4-3-5-16(18)26/h3-5,12-13H,6-11H2,1-2H3,(H,27,31)(H2,28,29,30)
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| InChIKey |
LDSSIIPATVPSNA-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