General Information of the Compound
| Compound ID |
CP0550656
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| Compound Name |
4-[4-[bis(2-methylpropyl)amino]-3-[(2,4-difluorophenyl)carbamoylamino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C28H33F2N3O4
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| Molecular Weight |
513.585
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(F)cc1F)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C28H33F2N3O4/c1-15(2)13-33(14-16(3)4)24-10-7-19(25-17(5)37-18(6)26(25)27(34)35)11-23(24)32-28(36)31-22-9-8-20(29)12-21(22)30/h7-12,15-16H,13-14H2,1-6H3,(H,34,35)(H2,31,32,36)
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| InChIKey |
FIUVMYMVRGDFGH-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