General Information of the Compound
| Compound ID |
CP0482467
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| Compound Name |
4-[4-[cyclohexyl(methyl)amino]-3-[(2,4-difluorophenyl)carbamoylamino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C27H29F2N3O4
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| Molecular Weight |
497.542
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| Canonical SMILES |
CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(F)cc1F)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C27H29F2N3O4/c1-15-24(25(26(33)34)16(2)36-15)17-9-12-23(32(3)19-7-5-4-6-8-19)22(13-17)31-27(35)30-21-11-10-18(28)14-20(21)29/h9-14,19H,4-8H2,1-3H3,(H,33,34)(H2,30,31,35)
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| InChIKey |
JUOKMEMAAOXHTM-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