General Information of the Compound
| Compound ID |
CP0116250
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| Compound Name |
7-[4-(4-methylpiperazin-1-yl)anilino]quinoline-5,8-dione
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| Structure |
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC2=CC(=O)c3cccnc3C2=O)cc1
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| InChI |
InChI=1S/C20H20N4O2/c1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)22-17-13-18(25)16-3-2-8-21-19(16)20(17)26/h2-8,13,22H,9-12H2,1H3
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| InChIKey |
OHGBLPNOIBVHQS-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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Table of Molecular Bioactivities Related to the Compound