General Information of the Compound
| Compound ID |
CP0375398
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| Compound Name |
2-[[2-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid methyl ester
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| Structure |
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| Formula |
C21H19FN2O5
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| Molecular Weight |
398.39
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| Canonical SMILES |
COC(=O)COc1cccc2c1ccn(CC(=O)NCc1ccc(F)cc1)c2=O
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| InChI |
InChI=1S/C21H19FN2O5/c1-28-20(26)13-29-18-4-2-3-17-16(18)9-10-24(21(17)27)12-19(25)23-11-14-5-7-15(22)8-6-14/h2-10H,11-13H2,1H3,(H,23,25)
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| InChIKey |
JISCYQWWSXPVCV-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2