General Information of the Compound
| Compound ID |
CP0457718
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| Compound Name |
2-amino-4-(4-methoxyphenyl)-1-[(Z)-(5-morpholin-4-ylsulfonyl-2-oxo-1H-indol-3-ylidene)amino]-6-oxopyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C26H21N7O6S
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| Molecular Weight |
559.564
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| Canonical SMILES |
COc1ccc(cc1)-c1c(C#N)c(N)n(\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCOCC2)c(=O)c1C#N
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| InChI |
InChI=1S/C26H21N7O6S/c1-38-16-4-2-15(3-5-16)22-19(13-27)24(29)33(26(35)20(22)14-28)31-23-18-12-17(6-7-21(18)30-25(23)34)40(36,37)32-8-10-39-11-9-32/h2-7,12H,8-11,29H2,1H3,(H,30,31,34)
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| InChIKey |
KHYZKBJXOMWJCB-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