General Information of the Compound
| Compound ID |
CP0954995
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| Compound Name |
2-(Aminomethyl)-7-((3-phenylprop-2-yn-1-yl)oxy)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C19H16ClNO3
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| Molecular Weight |
341.794
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| Canonical SMILES |
Cl.NCc1cc(=O)c2ccc(OCC#Cc3ccccc3)cc2o1
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| InChI |
InChI=1S/C19H15NO3.ClH/c20-13-16-11-18(21)17-9-8-15(12-19(17)23-16)22-10-4-7-14-5-2-1-3-6-14;/h1-3,5-6,8-9,11-12H,10,13,20H2;1H
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| InChIKey |
WPXUJWOZCDGNRW-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