General Information of the Compound
| Compound ID |
CP0474232
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| Compound Name |
2-(2-(6-chlorobenzo[d][1,3]dioxol-5-yl)ethyl)-6-methoxybenzo[d]oxazole
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| Structure |
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| Formula |
C17H14ClNO4
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| Molecular Weight |
331.755
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| Canonical SMILES |
COc1ccc2nc(CCc3cc4OCOc4cc3Cl)oc2c1
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| InChI |
InChI=1S/C17H14ClNO4/c1-20-11-3-4-13-14(7-11)23-17(19-13)5-2-10-6-15-16(8-12(10)18)22-9-21-15/h3-4,6-8H,2,5,9H2,1H3
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| InChIKey |
VOLHEWNUKJNJPG-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