General Information of the Compound
| Compound ID |
CP0125619
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| Compound Name |
(NE)-N-[1-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methoxyphenyl)ethylidene]hydroxylamine
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| Structure |
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| Formula |
C17H16N2O4
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| Molecular Weight |
312.325
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| Canonical SMILES |
COc1ccc(C\C(=N/O)c2nc3ccc(OC)cc3o2)cc1
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| InChI |
InChI=1S/C17H16N2O4/c1-21-12-5-3-11(4-6-12)9-15(19-20)17-18-14-8-7-13(22-2)10-16(14)23-17/h3-8,10,20H,9H2,1-2H3/b19-15+
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| InChIKey |
WQJSDXPDBPDENI-XDJHFCHBSA-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