General Information of the Compound
| Compound ID |
CP0961402
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| Compound Name |
2-(Aminomethyl)-6-(1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C14H15ClN4O3
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| Molecular Weight |
322.752
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| Canonical SMILES |
Cl.NCc1cc(=O)c2cc(-c3cn(CCO)nn3)ccc2o1
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| InChI |
InChI=1S/C14H14N4O3.ClH/c15-7-10-6-13(20)11-5-9(1-2-14(11)21-10)12-8-18(3-4-19)17-16-12;/h1-2,5-6,8,19H,3-4,7,15H2;1H
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| InChIKey |
CDCOVKXOEYTPED-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