General Information of the Compound
| Compound ID |
CP0423814
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| Compound Name |
4-[4-[cyclohexyl(ethyl)amino]-3-[(3-methylphenyl)carbamoylamino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C29H35N3O4
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| Molecular Weight |
489.616
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| Canonical SMILES |
CCN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1cccc(C)c1)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C29H35N3O4/c1-5-32(23-12-7-6-8-13-23)25-15-14-21(26-19(3)36-20(4)27(26)28(33)34)17-24(25)31-29(35)30-22-11-9-10-18(2)16-22/h9-11,14-17,23H,5-8,12-13H2,1-4H3,(H,33,34)(H2,30,31,35)
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| InChIKey |
GIGRYRCRELTDOM-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