General Information of the Compound
| Compound ID |
CP0409525
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| Compound Name |
4-[(E)-3-(2-fluorophenyl)-1-oxoprop-2-enyl]-1-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
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| Structure |
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| Formula |
C19H18FNO2
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| Molecular Weight |
311.356
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| Canonical SMILES |
Cc1[nH]c(=O)c(C(=O)\C=C\c2ccccc2F)c2CCCCc12
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| InChI |
InChI=1S/C19H18FNO2/c1-12-14-7-3-4-8-15(14)18(19(23)21-12)17(22)11-10-13-6-2-5-9-16(13)20/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,21,23)/b11-10+
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| InChIKey |
YXZKKQAZJWYKNB-ZHACJKMWSA-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