General Information of the Compound
| Compound ID |
CP0201121
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| Compound Name |
4-N-(2-aminophenyl)-1-N-[3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C28H22N6O2S
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| Molecular Weight |
506.591
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
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| InChI |
InChI=1S/C28H22N6O2S/c29-23-8-1-2-9-24(23)34-27(36)19-12-10-18(11-13-19)26(35)32-21-6-3-7-22(15-21)33-28-31-17-25(37-28)20-5-4-14-30-16-20/h1-17H,29H2,(H,31,33)(H,32,35)(H,34,36)
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| InChIKey |
DOTPRVGBFHKZSA-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