General Information of the Compound
| Compound ID |
CP0544989
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| Compound Name |
4'-fluoro-5'-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-1'-methylspiro[cyclobutane-1,3'-indole]-2'-one
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| Structure |
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| Formula |
C26H22FN5O3
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| Molecular Weight |
471.492
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| Canonical SMILES |
COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C)C(=O)C3(CCC3)c2c1F
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| InChI |
InChI=1S/C26H22FN5O3/c1-30-17-9-10-18(22(27)21(17)26(25(30)34)12-6-13-26)31-15-20(35-2)24(33)23(29-31)19-11-14-28-32(19)16-7-4-3-5-8-16/h3-5,7-11,14-15H,6,12-13H2,1-2H3
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| InChIKey |
PXJULTZKFUMJOG-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