General Information of the Compound
| Compound ID |
CP0225728
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| Compound Name |
(E)-1-[4-(1-azepanylsulfonyl)phenyl]-3-(3,4-dihydroxyphenyl)-2-propen-1-one
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| Structure |
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| Formula |
C21H23NO5S
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| Molecular Weight |
401.484
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| Canonical SMILES |
Oc1ccc(\C=C\C(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)cc1O
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| InChI |
InChI=1S/C21H23NO5S/c23-19(11-5-16-6-12-20(24)21(25)15-16)17-7-9-18(10-8-17)28(26,27)22-13-3-1-2-4-14-22/h5-12,15,24-25H,1-4,13-14H2/b11-5+
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| InChIKey |
GXFSGKQBMVFDCW-VZUCSPMQSA-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
Protein ID: PT06109, Geminin
Protein ID: PT01214, Tyrosine-protein kinase JAK2