General Information of the Compound
| Compound ID |
CP0124515
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| Compound Name |
(E)-3-benzylidenechroman-4-one
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| Structure |
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| Formula |
C16H12O2
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| Molecular Weight |
236.27
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| Canonical SMILES |
O=C1\C(COc2ccccc12)=C\c1ccccc1
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| InChI |
InChI=1S/C16H12O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-10H,11H2/b13-10+
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| InChIKey |
TXRPREROCFYGHX-JLHYYAGUSA-N
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| CAS |
24513-66-4
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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