General Information of the Compound
| Compound ID |
CP0438381
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-(4-cyclopropylphenyl)-1,7,7-trimethyl-8H-furo[3,2-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C28H26ClFN4O2
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| Molecular Weight |
504.993
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| Canonical SMILES |
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C3CC3)c3OC(C)(C)Cc3c12
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| InChI |
InChI=1S/C28H26ClFN4O2/c1-28(2)14-19-24-22(32-27(34(24)3)33-23-20(29)5-4-6-21(23)30)13-18(25(19)36-28)26(35)31-17-11-9-16(10-12-17)15-7-8-15/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,31,35)(H,32,33)
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| InChIKey |
XNKWEFIDKLMLMF-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