General Information of the Compound
| Compound ID |
CP0436822
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| Compound Name |
4-[(1E,3E)-4-(5-Chloro-benzooxazol-2-yl)-buta-1,3-dienyl]-2-methoxy-phenol
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| Structure |
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| Formula |
C18H14ClNO3
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| Molecular Weight |
327.767
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| Canonical SMILES |
COc1cc(\C=C\C=C\c2nc3cc(Cl)ccc3o2)ccc1O
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| InChI |
InChI=1S/C18H14ClNO3/c1-22-17-10-12(6-8-15(17)21)4-2-3-5-18-20-14-11-13(19)7-9-16(14)23-18/h2-11,21H,1H3/b4-2+,5-3+
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| InChIKey |
XKTXQALPDVXTSX-ZUVMSYQZSA-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