General Information of the Compound
| Compound ID |
CP0067096
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| Compound Name |
2-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C12H12N2O2S
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| Molecular Weight |
248.307
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| Canonical SMILES |
Cc1ccsc1CNc1ncccc1C(O)=O
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| InChI |
InChI=1S/C12H12N2O2S/c1-8-4-6-17-10(8)7-14-11-9(12(15)16)3-2-5-13-11/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
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| InChIKey |
GIDVSGXIJGUURN-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