General Information of the Compound
| Compound ID |
CP0960878
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| Compound Name |
2-(2-(Aminomethyl)-4-oxo-4H-chromen-6-yloxy)acetic acid hydrochloride
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| Structure |
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| Formula |
C12H12ClNO5
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| Molecular Weight |
285.683
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| Canonical SMILES |
Cl.NCc1cc(=O)c2cc(OCC(=O)O)ccc2o1
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| InChI |
InChI=1S/C12H11NO5.ClH/c13-5-8-4-10(14)9-3-7(17-6-12(15)16)1-2-11(9)18-8;/h1-4H,5-6,13H2,(H,15,16);1H
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| InChIKey |
DKEOINIBVMOHDG-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