General Information of the Compound
| Compound ID |
CP0182043
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| Compound Name |
3-[(2,3-dimethylphenyl)methylamino]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C15H16N2O2
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| Molecular Weight |
256.305
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| Canonical SMILES |
Cc1cccc(CNc2cnccc2C(O)=O)c1C
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| InChI |
InChI=1S/C15H16N2O2/c1-10-4-3-5-12(11(10)2)8-17-14-9-16-7-6-13(14)15(18)19/h3-7,9,17H,8H2,1-2H3,(H,18,19)
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| InChIKey |
OHOOWABFNJIGRX-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