General Information of the Compound
| Compound ID |
CP0538080
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| Compound Name |
ethyl 2-[3-(furan-2-carbonylamino)phenyl]-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxylate
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| Structure |
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| Formula |
C28H29N5O4S
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| Molecular Weight |
531.638
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| Canonical SMILES |
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCN(C)CC1)-c1cccc(NC(=O)c2ccco2)c1
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| InChI |
InChI=1S/C28H29N5O4S/c1-3-36-28(35)24-25(29-20-9-11-22(12-10-20)33-15-13-32(2)14-16-33)31-27(38-24)19-6-4-7-21(18-19)30-26(34)23-8-5-17-37-23/h4-12,17-18,29H,3,13-16H2,1-2H3,(H,30,34)
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| InChIKey |
DHZOBOGXXHYSPO-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