General Information of the Compound
| Compound ID |
CP0944368
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| Compound Name |
6-((2-chloro-4-(trifluoromethyl)phenylamino)methyl)picolinic acid
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| Structure |
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| Formula |
C14H10ClF3N2O2
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| Molecular Weight |
330.693
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| Canonical SMILES |
O=C(O)c1cccc(CNc2ccc(C(F)(F)F)cc2Cl)n1
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| InChI |
InChI=1S/C14H10ClF3N2O2/c15-10-6-8(14(16,17)18)4-5-11(10)19-7-9-2-1-3-12(20-9)13(21)22/h1-6,19H,7H2,(H,21,22)
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| InChIKey |
SNVBATNLRWQGRP-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