General Information of the Compound
| Compound ID |
CP0127277
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| Compound Name |
2-N-(2-aminophenyl)-5-N-[3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]thiophene-2,5-dicarboxamide
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| Structure |
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| Formula |
C26H20N6O2S2
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| Molecular Weight |
512.62
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(s1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
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| InChI |
InChI=1S/C26H20N6O2S2/c27-19-8-1-2-9-20(19)32-25(34)22-11-10-21(35-22)24(33)30-17-6-3-7-18(13-17)31-26-29-15-23(36-26)16-5-4-12-28-14-16/h1-15H,27H2,(H,29,31)(H,30,33)(H,32,34)
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| InChIKey |
AAAHTCZONLHYSA-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