General Information of the Compound
| Compound ID |
CP0476901
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| Compound Name |
2-[5-(2,3-dihydro-1-benzofuran-7- ylmethoxy)pyrazol-1-yl]pyridine- 4-carboxylic acid
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| Structure |
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| Formula |
C18H15N3O4
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| Molecular Weight |
337.335
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1OCc1cccc2CCOc12
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| InChI |
InChI=1S/C18H15N3O4/c22-18(23)13-4-7-19-15(10-13)21-16(5-8-20-21)25-11-14-3-1-2-12-6-9-24-17(12)14/h1-5,7-8,10H,6,9,11H2,(H,22,23)
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| InChIKey |
ILTCPDIVBYUMLZ-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: PT02979, Lysine-specific demethylase 4C
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B