General Information of the Compound
| Compound ID |
CP0280422
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| Compound Name |
2-(3-methylanilino)benzoic acid
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| Structure |
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| Formula |
C14H13NO2
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| Molecular Weight |
227.263
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| Canonical SMILES |
Cc1cccc(Nc2ccccc2C(O)=O)c1
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| InChI |
InChI=1S/C14H13NO2/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
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| InChIKey |
JODCQKTVDXZQEP-UHFFFAOYSA-N
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| CAS |
16524-22-4
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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