General Information of the Compound
| Compound ID |
CP0955937
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| Compound Name |
2-(Aminomethyl)-6-ethynyl-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C12H10ClNO2
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| Molecular Weight |
235.67
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| Canonical SMILES |
C#Cc1ccc2oc(CN)cc(=O)c2c1.Cl
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| InChI |
InChI=1S/C12H9NO2.ClH/c1-2-8-3-4-12-10(5-8)11(14)6-9(7-13)15-12;/h1,3-6H,7,13H2;1H
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| InChIKey |
GIFYTAOEMXTVFS-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