General Information of the Compound
| Compound ID |
CP0448824
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| Compound Name |
3-(2,5-Dihydroxy-benzylamino)-benzoic acid
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| Structure |
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| Formula |
C14H13NO4
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| Molecular Weight |
259.261
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| Canonical SMILES |
OC(=O)c1cccc(NCc2cc(O)ccc2O)c1
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| InChI |
InChI=1S/C14H13NO4/c16-12-4-5-13(17)10(7-12)8-15-11-3-1-2-9(6-11)14(18)19/h1-7,15-17H,8H2,(H,18,19)
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| InChIKey |
PCBHHKFQNAFXJI-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