General Information of the Compound
| Compound ID |
CP0651172
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| Compound Name |
Amino-(4-phosphono-phenyl)-acetic acid
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| Structure |
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| Formula |
C8H10NO5P
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| Molecular Weight |
231.144
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| Canonical SMILES |
N[C@H](C(=O)O)c1ccc(P(=O)(O)O)cc1
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| InChI |
InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)/t7-/m0/s1
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| InChIKey |
JRQRKFDFHAPMGQ-ZETCQYMHSA-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