General Information of the Compound
| Compound ID |
CP0903899
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)carbamoyl)benzoic acid trifluoroacetate
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| Structure |
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| Formula |
C17H13F6N3O5
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| Molecular Weight |
453.295
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| Canonical SMILES |
NCc1cc(NC(=O)c2cccc(C(=O)O)c2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C15H12F3N3O3.C2HF3O2/c16-15(17,18)11-4-8(7-19)5-12(20-11)21-13(22)9-2-1-3-10(6-9)14(23)24;3-2(4,5)1(6)7/h1-6H,7,19H2,(H,23,24)(H,20,21,22);(H,6,7)
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| InChIKey |
PTSONLTXEWIKPB-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