General Information of the Compound
| Compound ID |
CP0496836
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| Compound Name |
6-methoxy-8-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (4-morpholin-4-ylphenyl)amide
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| Structure |
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| Formula |
C26H31N5O4
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| Molecular Weight |
477.565
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C26H31N5O4/c1-29-7-9-31(10-8-29)23-16-20(34-2)15-21-24(32)17-22(28-25(21)23)26(33)27-18-3-5-19(6-4-18)30-11-13-35-14-12-30/h3-6,15-17H,7-14H2,1-2H3,(H,27,33)(H,28,32)
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| InChIKey |
PSAOLCBZHAWXPR-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