General Information of the Compound
| Compound ID |
CP0434233
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| Compound Name |
4-dimethylamino-6-methoxy-8-(4-methyl-piperazin-1-yl)-quinoline-2-carboxylic acid (4-morpholin-4-ylphenyl)amide
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| Structure |
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| Formula |
C28H36N6O3
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| Molecular Weight |
504.635
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c2nc(cc(N(C)C)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C28H36N6O3/c1-31(2)25-19-24(28(35)29-20-5-7-21(8-6-20)33-13-15-37-16-14-33)30-27-23(25)17-22(36-4)18-26(27)34-11-9-32(3)10-12-34/h5-8,17-19H,9-16H2,1-4H3,(H,29,35)
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| InChIKey |
TVVMFPCZWFJVGN-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