General Information of the Compound
| Compound ID |
CP0346754
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethyl)pyridin-3-yl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C24H19ClF3N5O2
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| Molecular Weight |
501.896
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| Canonical SMILES |
CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(nc1)C(F)F
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| InChI |
InChI=1S/C24H19ClF3N5O2/c1-24(2)9-13-18-17(31-23(32-18)33-19-14(25)4-3-5-15(19)26)8-12(20(13)35-24)22(34)30-11-6-7-16(21(27)28)29-10-11/h3-8,10,21H,9H2,1-2H3,(H,30,34)(H2,31,32,33)
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| InChIKey |
UJROSMJYQUXNRQ-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