General Information of the Compound
| Compound ID |
CP0961405
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| Compound Name |
2-(Aminomethyl)-7-(1-methyl-1H-1,2,3-triazol-4-yl)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C13H13ClN4O2
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| Molecular Weight |
292.726
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| Canonical SMILES |
Cl.Cn1cc(-c2ccc3c(=O)cc(CN)oc3c2)nn1
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| InChI |
InChI=1S/C13H12N4O2.ClH/c1-17-7-11(15-16-17)8-2-3-10-12(18)5-9(6-14)19-13(10)4-8;/h2-5,7H,6,14H2,1H3;1H
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| InChIKey |
LMZSHJRMSSKLDE-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