General Information of the Compound
| Compound ID |
CP0532041
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| Compound Name |
ethyl 6-chloro-5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-3-methyl-1-benzofuran-2-carboxylate
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| Structure |
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| Formula |
C29H26ClN3O5
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| Molecular Weight |
531.996
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| Canonical SMILES |
CCOC(=O)c1oc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc2c1C
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| InChI |
InChI=1S/C29H26ClN3O5/c1-3-36-29(35)27-17(2)19-14-26(21(30)15-25(19)38-27)37-24-10-11-31-16-20(24)28(34)33-13-12-32(18-8-9-18)22-6-4-5-7-23(22)33/h4-7,10-11,14-16,18H,3,8-9,12-13H2,1-2H3
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| InChIKey |
QMYRFJVIMVNOLH-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