General Information of the Compound
| Compound ID |
CP0455349
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| Compound Name |
7-hex-5-ynoxy-2-phenylchromen-4-one
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| Structure |
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| Formula |
C21H18O3
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| Molecular Weight |
318.372
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| Canonical SMILES |
O=c1cc(oc2cc(OCCCCC#C)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C21H18O3/c1-2-3-4-8-13-23-17-11-12-18-19(22)15-20(24-21(18)14-17)16-9-6-5-7-10-16/h1,5-7,9-12,14-15H,3-4,8,13H2
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| InChIKey |
JRAYWFFIESLWKQ-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