General Information of the Compound
| Compound ID |
CP0147414
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| Compound Name |
1-(2-methoxyethyl)-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 |
C29H27N5O5
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| Molecular Weight |
525.565
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| Canonical SMILES |
COCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C29H27N5O5/c1-19-27(29(36)34(33(19)15-16-37-2)20-7-5-4-6-8-20)28(35)32-26-12-10-22(18-31-26)39-25-13-14-30-24-17-21(38-3)9-11-23(24)25/h4-14,17-18H,15-16H2,1-3H3,(H,31,32,35)
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| InChIKey |
YKCLPZQBFQBZAH-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