General Information of the Compound
| Compound ID |
CP0559681
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| Compound Name |
tert-butyl 4-[3-[3-[(3,5-diethoxyphenyl)methyl-methylcarbamoyl]-1-methyl-2-oxoquinolin-4-yl]oxypropyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C36H49N3O7
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| Molecular Weight |
635.802
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| Canonical SMILES |
CCOc1cc(CN(C)C(=O)c2c(OCCCC3CCN(CC3)C(=O)OC(C)(C)C)c3ccccc3n(C)c2=O)cc(OCC)c1
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| InChI |
InChI=1S/C36H49N3O7/c1-8-43-27-21-26(22-28(23-27)44-9-2)24-37(6)33(40)31-32(29-14-10-11-15-30(29)38(7)34(31)41)45-20-12-13-25-16-18-39(19-17-25)35(42)46-36(3,4)5/h10-11,14-15,21-23,25H,8-9,12-13,16-20,24H2,1-7H3
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| InChIKey |
JLNUPJGRSKSKPM-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