General Information of the Compound
| Compound ID |
CP0961406
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| Compound Name |
2-(Aminomethyl)-7-isobutoxy-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C14H18ClNO3
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| Molecular Weight |
283.755
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| Canonical SMILES |
CC(C)COc1ccc2c(=O)cc(CN)oc2c1.Cl
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| InChI |
InChI=1S/C14H17NO3.ClH/c1-9(2)8-17-10-3-4-12-13(16)5-11(7-15)18-14(12)6-10;/h3-6,9H,7-8,15H2,1-2H3;1H
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| InChIKey |
HPCYUDQKIMLZDT-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