General Information of the Compound
| Compound ID |
CP0126722
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| Compound Name |
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2,4-dimethylphenyl]-2-methylquinoline-6-carboxamide
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| Structure |
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| Formula |
C28H25N3O4
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| Molecular Weight |
467.525
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| Canonical SMILES |
Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)c(C)cc1C
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| InChI |
InChI=1S/C28H25N3O4/c1-16-12-17(2)24(31-28(33)21-7-9-25-26(14-21)35-11-10-34-25)15-23(16)30-27(32)20-6-8-22-19(13-20)5-4-18(3)29-22/h4-9,12-15H,10-11H2,1-3H3,(H,30,32)(H,31,33)
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| InChIKey |
MTVGVQHJPVTWLE-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