General Information of the Compound
| Compound ID |
CP0423813
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| Compound Name |
4-[4-[cyclohexyl(ethyl)amino]-3-[(2-fluorophenyl)carbamoylamino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C28H32FN3O4
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| Molecular Weight |
493.579
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| Canonical SMILES |
CCN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccccc1F)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C28H32FN3O4/c1-4-32(20-10-6-5-7-11-20)24-15-14-19(25-17(2)36-18(3)26(25)27(33)34)16-23(24)31-28(35)30-22-13-9-8-12-21(22)29/h8-9,12-16,20H,4-7,10-11H2,1-3H3,(H,33,34)(H2,30,31,35)
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| InChIKey |
KTLUWDWNNJYVAP-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