General Information of the Compound
| Compound ID |
CP0961409
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| Compound Name |
2-(Aminomethyl)-7-(3-(trifluoromethyl)phenoxy)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C17H13ClF3NO3
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| Molecular Weight |
371.742
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| Canonical SMILES |
Cl.NCc1cc(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)cc2o1
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| InChI |
InChI=1S/C17H12F3NO3.ClH/c18-17(19,20)10-2-1-3-11(6-10)23-12-4-5-14-15(22)7-13(9-21)24-16(14)8-12;/h1-8H,9,21H2;1H
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| InChIKey |
DDRBQZNYHRUXJA-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