General Information of the Compound
| Compound ID |
CP0453081
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| Compound Name |
4-((1E,3E)-4-Benzooxazol-2-yl-buta-1,3-dienyl)-benzene-1,2-diol
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| Structure |
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| Formula |
C17H13NO3
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| Molecular Weight |
279.295
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| Canonical SMILES |
Oc1ccc(\C=C\C=C\c2nc3ccccc3o2)cc1O
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| InChI |
InChI=1S/C17H13NO3/c19-14-10-9-12(11-15(14)20)5-1-4-8-17-18-13-6-2-3-7-16(13)21-17/h1-11,19-20H/b5-1+,8-4+
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| InChIKey |
QZTFAGHMIHZDCD-LZSLGQGWSA-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