General Information of the Compound
| Compound ID |
CP0482118
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| Compound Name |
N-[5-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-2-methylphenyl]-2-methylquinoline-6-carboxamide
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| Structure |
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| Formula |
C27H23N3O4
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| Molecular Weight |
453.498
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| Canonical SMILES |
Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2cccc3OCCOc23)ccc1C
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| InChI |
InChI=1S/C27H23N3O4/c1-16-6-10-20(29-27(32)21-4-3-5-24-25(21)34-13-12-33-24)15-23(16)30-26(31)19-9-11-22-18(14-19)8-7-17(2)28-22/h3-11,14-15H,12-13H2,1-2H3,(H,29,32)(H,30,31)
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| InChIKey |
QCJPHAJSFOAECQ-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