General Information of the Compound
| Compound ID |
CP0949900
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| Compound Name |
2-(Aminomethyl)-7-(prop-2-yn-1-yloxy)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C13H12ClNO3
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| Molecular Weight |
265.696
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| Canonical SMILES |
C#CCOc1ccc2c(=O)cc(CN)oc2c1.Cl
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| InChI |
InChI=1S/C13H11NO3.ClH/c1-2-5-16-9-3-4-11-12(15)6-10(8-14)17-13(11)7-9;/h1,3-4,6-7H,5,8,14H2;1H
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| InChIKey |
WLWQUZCEZODXHL-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