General Information of the Compound
| Compound ID |
CP0442449
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| Compound Name |
6-methoxy-8-(4-methyl-[1,4]diazepan-1-yl)-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (4-morpholin-4--phenyl)amide
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| Structure |
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| Formula |
C27H33N5O4
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| Molecular Weight |
491.592
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| Canonical SMILES |
COc1cc(N2CCCN(C)CC2)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C27H33N5O4/c1-30-8-3-9-32(11-10-30)24-17-21(35-2)16-22-25(33)18-23(29-26(22)24)27(34)28-19-4-6-20(7-5-19)31-12-14-36-15-13-31/h4-7,16-18H,3,8-15H2,1-2H3,(H,28,34)(H,29,33)
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| InChIKey |
XFRKJVFIKNDCPI-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