General Information of the Compound
| Compound ID |
CP0323991
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| Compound Name |
(NE)-N-[1-(6-chloro-1,3-benzoxazol-2-yl)-2-(4-methoxyphenyl)ethylidene]hydroxylamine
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| Structure |
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| Formula |
C16H13ClN2O3
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| Molecular Weight |
316.744
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| Canonical SMILES |
COc1ccc(C\C(=N/O)c2nc3ccc(Cl)cc3o2)cc1
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| InChI |
InChI=1S/C16H13ClN2O3/c1-21-12-5-2-10(3-6-12)8-14(19-20)16-18-13-7-4-11(17)9-15(13)22-16/h2-7,9,20H,8H2,1H3/b19-14+
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| InChIKey |
VZWNCNFGOWGOEK-XMHGGMMESA-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