General Information of the Compound
| Compound ID |
CP0539691
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| Compound Name |
4-[4-[bis(2-methylpropyl)amino]-3-[(2-fluorophenyl)carbamoylamino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C28H34FN3O4
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| Molecular Weight |
495.595
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccccc1F)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C28H34FN3O4/c1-16(2)14-32(15-17(3)4)24-12-11-20(25-18(5)36-19(6)26(25)27(33)34)13-23(24)31-28(35)30-22-10-8-7-9-21(22)29/h7-13,16-17H,14-15H2,1-6H3,(H,33,34)(H2,30,31,35)
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| InChIKey |
OYXNOEXTAJUFBO-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