General Information of the Compound
| Compound ID |
CP0653129
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| Compound Name |
SID22406436
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| Structure |
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| Formula |
C21H16N2O3
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| Molecular Weight |
344.37
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| Canonical SMILES |
O=C(/C(=N/N=C/c1ccc(O)c(O)c1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C21H16N2O3/c24-18-12-11-15(13-19(18)25)14-22-23-20(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-14,24-25H/b22-14+,23-20+
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| InChIKey |
PTPHBFWUIVDPAV-DAEAJKMYSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2