General Information of the Compound
| Compound ID |
CP0495693
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| Compound Name |
N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1H-1,3-benzodiazol-2-yl}-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C28H27F4N7O3
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| Molecular Weight |
585.562
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| Canonical SMILES |
CN1CCN(CC(=O)Nc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
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| InChI |
InChI=1S/C28H27F4N7O3/c1-38-10-12-39(13-11-38)16-25(40)37-26-34-22-9-7-20(15-24(22)35-26)42-19-5-3-18(4-6-19)33-27(41)36-23-14-17(28(30,31)32)2-8-21(23)29/h2-9,14-15H,10-13,16H2,1H3,(H2,33,36,41)(H2,34,35,37,40)
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| InChIKey |
WYSIIHBXZUVHPY-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