General Information of the Compound
| Compound ID |
CP0346880
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| Compound Name |
US8614253, 29-1
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| Synonyms |
BDBM111341
CHEMBL3265258
SCHEMBL12767127
US8614253, 29-1
WXSWAZIIQXYJAM-UHFFFAOYSA-N
methyl 3-(5-formyl-6-hydroxynaphthalen-2-yl)benzoate
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| Structure |
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| Formula |
C19H14O4
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| Molecular Weight |
306.317
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| Canonical SMILES |
COC(=O)c1cccc(c1)-c1ccc2c(C=O)c(O)ccc2c1
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| InChI |
InChI=1S/C19H14O4/c1-23-19(22)15-4-2-3-12(10-15)13-5-7-16-14(9-13)6-8-18(21)17(16)11-20/h2-11,21H,1H3
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| InChIKey |
WXSWAZIIQXYJAM-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: PT02289, Serine/threonine-protein kinase/endoribonuclease IRE1
Clinical Information about the Compound