General Information of the Compound
| Compound ID |
CP0474743
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| Compound Name |
(2E)-5-chloro-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
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| Structure |
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| Formula |
C17H13ClO3
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| Molecular Weight |
300.741
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| Canonical SMILES |
COc1cc(\C=C2/Cc3cc(Cl)ccc3C2=O)ccc1O
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| InChI |
InChI=1S/C17H13ClO3/c1-21-16-7-10(2-5-15(16)19)6-12-8-11-9-13(18)3-4-14(11)17(12)20/h2-7,9,19H,8H2,1H3/b12-6+
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| InChIKey |
UXQZOQPUQJYZNL-WUXMJOGZSA-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