General Information of the Compound
| Compound ID |
CP0488238
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| Compound Name |
4-[4-[cyclohexyl(methyl)amino]-3-[(4-fluorophenyl)carbamoylamino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C27H30FN3O4
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| Molecular Weight |
479.552
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| Canonical SMILES |
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(F)cc1)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C27H30FN3O4/c1-16-24(25(26(32)33)17(2)35-16)18-9-14-23(31(3)21-7-5-4-6-8-21)22(15-18)30-27(34)29-20-12-10-19(28)11-13-20/h9-15,21H,4-8H2,1-3H3,(H,32,33)(H2,29,30,34)
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| InChIKey |
QKFJKPDARUTMJJ-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