General Information of the Compound
| Compound ID |
CP0961408
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| Compound Name |
2-(Aminomethyl)-8-(2-phenoxyethoxy)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C18H18ClNO4
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| Molecular Weight |
347.798
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| Canonical SMILES |
Cl.NCc1cc(=O)c2cccc(OCCOc3ccccc3)c2o1
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| InChI |
InChI=1S/C18H17NO4.ClH/c19-12-14-11-16(20)15-7-4-8-17(18(15)23-14)22-10-9-21-13-5-2-1-3-6-13;/h1-8,11H,9-10,12,19H2;1H
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| InChIKey |
FDTUXEBJROXXDE-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