General Information of the Compound
| Compound ID |
CP0416497
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| Compound Name |
[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino] 2-methoxybenzoate
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| Structure |
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| Formula |
C17H14N2O4
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| Molecular Weight |
310.309
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| Canonical SMILES |
COc1ccccc1C(=O)O\N=C(/C)c1nc2ccccc2o1
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| InChI |
InChI=1S/C17H14N2O4/c1-11(16-18-13-8-4-6-10-15(13)22-16)19-23-17(20)12-7-3-5-9-14(12)21-2/h3-10H,1-2H3/b19-11+
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| InChIKey |
GELNZECOIXMKEF-YBFXNURJSA-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: PT03614, NACHT, LRR and PYD domains-containing protein 3
Protein ID: PT03343, Toll-like receptor 4