General Information of the Compound
| Compound ID |
CP0197093
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| Compound Name |
N-[5-(3,4-dihydro-1H-isochromene-7-carbonylamino)-2-methylphenyl]-2-methylquinoline-6-carboxamide
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| Structure |
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| Formula |
C28H25N3O3
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| Molecular Weight |
451.526
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| Canonical SMILES |
Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCOCc3c2)ccc1C
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| InChI |
InChI=1S/C28H25N3O3/c1-17-3-9-24(30-27(32)21-7-6-19-11-12-34-16-23(19)14-21)15-26(17)31-28(33)22-8-10-25-20(13-22)5-4-18(2)29-25/h3-10,13-15H,11-12,16H2,1-2H3,(H,30,32)(H,31,33)
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| InChIKey |
PKYOZVHLKBGHID-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