General Information of the Compound
| Compound ID |
CP0272757
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| Compound Name |
1-ethyl-N-[5-(7-methoxyquinolin-4-yl)oxypyridin-2-yl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C28H25N5O4
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| Molecular Weight |
495.539
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| Canonical SMILES |
CCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C28H25N5O4/c1-4-32-18(2)26(28(35)33(32)19-8-6-5-7-9-19)27(34)31-25-13-11-21(17-30-25)37-24-14-15-29-23-16-20(36-3)10-12-22(23)24/h5-17H,4H2,1-3H3,(H,30,31,34)
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| InChIKey |
LBFSRNMRNQGAAI-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