General Information of the Compound
| Compound ID |
CP0538215
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| Compound Name |
2-[3-(furan-2-carbonylamino)phenyl]-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C26H26N6O3S
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| Molecular Weight |
502.6
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3ccco3)c2)cc1
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| InChI |
InChI=1S/C26H26N6O3S/c1-31-11-13-32(14-12-31)20-9-7-18(8-10-20)28-24-22(23(27)33)36-26(30-24)17-4-2-5-19(16-17)29-25(34)21-6-3-15-35-21/h2-10,15-16,28H,11-14H2,1H3,(H2,27,33)(H,29,34)
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| InChIKey |
HUUSMUGRLZRQKZ-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