General Information of the Compound
| Compound ID |
CP0480279
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| Compound Name |
4-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C28H36N4O3S
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| Molecular Weight |
508.688
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| Canonical SMILES |
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nc(ns1)C1CC1)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C28H36N4O3S/c1-16(2)15-32(21-8-6-5-7-9-21)23-13-12-20(24-17(3)35-18(4)25(24)27(33)34)14-22(23)29-28-30-26(31-36-28)19-10-11-19/h12-14,16,19,21H,5-11,15H2,1-4H3,(H,33,34)(H,29,30,31)
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| InChIKey |
OWWBJTKMVUCCOE-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