General Information of the Compound
| Compound ID |
CP0442445
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| Compound Name |
8-[ethyl-(1-ethyl-pyrrolidin-3-yl)-amino]-6-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (4-morpholin-4-yl-phenyl)amide
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| Structure |
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| Formula |
C29H37N5O4
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| Molecular Weight |
519.646
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| Canonical SMILES |
CCN(C1CCN(CC)C1)c1cc(OC)cc2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C29H37N5O4/c1-4-32-11-10-22(19-32)34(5-2)26-17-23(37-3)16-24-27(35)18-25(31-28(24)26)29(36)30-20-6-8-21(9-7-20)33-12-14-38-15-13-33/h6-9,16-18,22H,4-5,10-15,19H2,1-3H3,(H,30,36)(H,31,35)
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| InChIKey |
QGPQKWYMNWOLLI-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